N,5-dimethyl-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]prop-2-enyl]-1H-indazole-7-sulfonamide

C20H25N5O2S2 — CID 171395492

IUPACN,5-dimethyl-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]prop-2-enyl]-1H-indazole-7-sulfonamide
SMILESC=C(Cc1nc2c(s1)CN(C)CC2)CN(C)S(=O)(=O)c1cc(C)cc2cn[nH]c12
InChIInChI=1S/C20H25N5O2S2/c1-13-7-15-10-21-23-20(15)18(8-13)29(26,27)25(4)11-14(2)9-19-22-16-5-6-24(3)12-17(16)28-19/h7-8,10H,2,5-6,9,11-12H2,1,3-4H3,(H,21,23)
InChIKeyGQSSENJZPHLAMA-UHFFFAOYSA-N
MW431.59 g/mol
LogP2.74
Rot. Bonds6

About N,5-dimethyl-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]prop-2-enyl]-1H-indazole-7-sulfonamide

N,5-dimethyl-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]prop-2-enyl]-1H-indazole-7-sulfonamide (PubChem CID 171395492) has the molecular formula C20H25N5O2S2 and a molecular weight of 431.59 g/mol. Its IUPAC name is N,5-dimethyl-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]prop-2-enyl]-1H-indazole-7-sulfonamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]prop-2-enyl]-1H-indazole-7-sulfonamide
PubChem CID171395492
Molecular FormulaC20H25N5O2S2
Molecular Weight431.59 g/mol
Exact Mass431.14
IUPAC NameN,5-dimethyl-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]prop-2-enyl]-1H-indazole-7-sulfonamide
SMILESC=C(Cc1nc2c(s1)CN(C)CC2)CN(C)S(=O)(=O)c1cc(C)cc2cn[nH]c12
InChIInChI=1S/C20H25N5O2S2/c1-13-7-15-10-21-23-20(15)18(8-13)29(26,27)25(4)11-14(2)9-19-22-16-5-6-24(3)12-17(16)28-19/h7-8,10H,2,5-6,9,11-12H2,1,3-4H3,(H,21,23)
InChIKeyGQSSENJZPHLAMA-UHFFFAOYSA-N
XLogP2.74
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.59
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
CID 164573617
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
CID 167168339
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
CID 171442855
N,N-dimethyl-2-[[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]methyl]-1H-imidazole-5-carboxamide
CID 175971325
2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-quinolin-7-ylacetamide
CID 171395555
2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 171395462
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
CID 171442771
N-(7aH-isoindol-5-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
CID 171442859
methyl 4-[[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methylsulfonylamino]methyl]benzoate
CID 126506350
2,2-dimethyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propan-1-one
CID 83388806
1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propan-2-amine
CID 62651951
N,5-dimethyl-N-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1H-indazole-7-sulfonamide
CID 175971341

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]prop-2-enyl]-1H-indazole-7-sulfonamide?
The IUPAC name of N,5-dimethyl-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]prop-2-enyl]-1H-indazole-7-sulfonamide (CID 171395492) is N,5-dimethyl-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]prop-2-enyl]-1H-indazole-7-sulfonamide.
What is the SMILES notation for N,5-dimethyl-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]prop-2-enyl]-1H-indazole-7-sulfonamide?
The canonical SMILES for N,5-dimethyl-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]prop-2-enyl]-1H-indazole-7-sulfonamide is C=C(Cc1nc2c(s1)CN(C)CC2)CN(C)S(=O)(=O)c1cc(C)cc2cn[nH]c12.
What is the InChIKey of N,5-dimethyl-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]prop-2-enyl]-1H-indazole-7-sulfonamide?
The InChIKey is GQSSENJZPHLAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S2/c1-13-7-15-10-21-23-20(15)18(8-13)29(26,27)25(4)11-14(2)9-19-22-16-5-6-24(3)12-17(16)28-19/h7-8,10H,2,5-6,9,11-12H2,1,3-4H3,(H,21,23).
What are the key properties of N,5-dimethyl-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]prop-2-enyl]-1H-indazole-7-sulfonamide?
N,5-dimethyl-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]prop-2-enyl]-1H-indazole-7-sulfonamide has a molecular weight of 431.59 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]prop-2-enyl]-1H-indazole-7-sulfonamide is sourced from PubChem (CID 171395492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).