N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

C16H23N5O2S2 — CID 133406055

IUPACN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCc1nc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c(C)s1
InChIInChI=1S/C16H23N5O2S2/c1-12-15(19-13(2)24-12)11-18-16-5-4-14(10-17-16)25(22,23)21-8-6-20(3)7-9-21/h4-5,10H,6-9,11H2,1-3H3,(H,17,18)
InChIKeyVLPUGHSRJSWQRL-UHFFFAOYSA-N
MW381.53 g/mol
LogP1.70
Rot. Bonds5

About N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 133406055) has the molecular formula C16H23N5O2S2 and a molecular weight of 381.53 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID133406055
Molecular FormulaC16H23N5O2S2
Molecular Weight381.53 g/mol
Exact Mass381.13
IUPAC NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCc1nc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c(C)s1
InChIInChI=1S/C16H23N5O2S2/c1-12-15(19-13(2)24-12)11-18-16-5-4-14(10-17-16)25(22,23)21-8-6-20(3)7-9-21/h4-5,10H,6-9,11H2,1-3H3,(H,17,18)
InChIKeyVLPUGHSRJSWQRL-UHFFFAOYSA-N
XLogP1.70
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine with MolForge

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Related Compounds

N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133406165
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133405566
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
5-(4-methylpiperazin-1-yl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridin-2-amine
CID 55433927
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133347670
N-[(1-methoxycyclobutyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133459900
N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 5268226
3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 55365489
5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine
CID 55465237
4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-2-phenylbutan-2-ol
CID 133495668
1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol
CID 55680878
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133293070

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 133406055) is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is Cc1nc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c(C)s1.
What is the InChIKey of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is VLPUGHSRJSWQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S2/c1-12-15(19-13(2)24-12)11-18-16-5-4-14(10-17-16)25(22,23)21-8-6-20(3)7-9-21/h4-5,10H,6-9,11H2,1-3H3,(H,17,18).
What are the key properties of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 381.53 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 133406055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).