N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C14H24N4S — CID 114538093

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C)n(CCCNC2=NCC(C(C)C)S2)n1
InChIInChI=1S/C14H24N4S/c1-10(2)13-9-16-14(19-13)15-6-5-7-18-12(4)8-11(3)17-18/h8,10,13H,5-7,9H2,1-4H3,(H,15,16)
InChIKeySDKTVMTUZOFXGT-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.61
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114538093) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114538093
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C)n(CCCNC2=NCC(C(C)C)S2)n1
InChIInChI=1S/C14H24N4S/c1-10(2)13-9-16-14(19-13)15-6-5-7-18-12(4)8-11(3)17-18/h8,10,13H,5-7,9H2,1-4H3,(H,15,16)
InChIKeySDKTVMTUZOFXGT-UHFFFAOYSA-N
XLogP2.61
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol
CID 114536486
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
CID 115706653
2-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 86816276
3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115706659
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
1-cyclobutyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propan-2-amine
CID 115706636
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine
CID 114536325
N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine
CID 62449266
1-cyclopropyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propan-1-amine
CID 115706698
2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine
CID 115572685
5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 114536241
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106581880

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 114538093) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is Cc1cc(C)n(CCCNC2=NCC(C(C)C)S2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is SDKTVMTUZOFXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-10(2)13-9-16-14(19-13)15-6-5-7-18-12(4)8-11(3)17-18/h8,10,13H,5-7,9H2,1-4H3,(H,15,16).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 280.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114538093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).