4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide

C14H19N5OS — CID 116666104

IUPAC4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NCc2ncccc2C)s1
InChIInChI=1S/C14H19N5OS/c1-3-6-17-14-19-12(15)11(21-14)13(20)18-8-10-9(2)5-4-7-16-10/h4-5,7H,3,6,8,15H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyRJAXZJFVCNKQBB-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.18
Rot. Bonds6

About 4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116666104) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID116666104
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NCc2ncccc2C)s1
InChIInChI=1S/C14H19N5OS/c1-3-6-17-14-19-12(15)11(21-14)13(20)18-8-10-9(2)5-4-7-16-10/h4-5,7H,3,6,8,15H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyRJAXZJFVCNKQBB-UHFFFAOYSA-N
XLogP2.18
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(ethylamino)-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 116672026
4-amino-N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665607
4-amino-N-[(4-methylthiophen-3-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671544
3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide
CID 103526426
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666120
4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116674069
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116669756
4-amino-N-(4-hydroxy-2-methylbutyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671133
4-amino-N-(5-fluoro-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668663
4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 116669038
4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668712

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 116666104) is 4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)NCc2ncccc2C)s1.
What is the InChIKey of 4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is RJAXZJFVCNKQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-3-6-17-14-19-12(15)11(21-14)13(20)18-8-10-9(2)5-4-7-16-10/h4-5,7H,3,6,8,15H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).