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

C12H15N5OS — CID 103379544

IUPAC3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N(C)Cc1ccncc1
InChIInChI=1S/C12H15N5OS/c1-14-11(18)9-10(13)16-19-12(9)17(2)7-8-3-5-15-6-4-8/h3-6H,7H2,1-2H3,(H2,13,16)(H,14,18)
InChIKeyHWCCDJDGAKTFPP-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.12
Rot. Bonds4

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

3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide (PubChem CID 103379544) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide
PubChem CID103379544
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N(C)Cc1ccncc1
InChIInChI=1S/C12H15N5OS/c1-14-11(18)9-10(13)16-19-12(9)17(2)7-8-3-5-15-6-4-8/h3-6H,7H2,1-2H3,(H2,13,16)(H,14,18)
InChIKeyHWCCDJDGAKTFPP-UHFFFAOYSA-N
XLogP1.12
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide (CID 103379544) is 3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1N(C)Cc1ccncc1.
What is the InChIKey of 3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide?
The InChIKey is HWCCDJDGAKTFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-14-11(18)9-10(13)16-19-12(9)17(2)7-8-3-5-15-6-4-8/h3-6H,7H2,1-2H3,(H2,13,16)(H,14,18).
What are the key properties of 3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide?
3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).