3-amino-5-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,2-thiazole-4-carboxamide

C12H15N5OS — CID 103383507

IUPAC3-amino-5-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,2-thiazole-4-carboxamide
SMILESCc1cccc(CN(C)c2snc(N)c2C(N)=O)n1
InChIInChI=1S/C12H15N5OS/c1-7-4-3-5-8(15-7)6-17(2)12-9(11(14)18)10(13)16-19-12/h3-5H,6H2,1-2H3,(H2,13,16)(H2,14,18)
InChIKeyUSCAZSXNIIXEAV-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.16
Rot. Bonds4

About 3-amino-5-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,2-thiazole-4-carboxamide

3-amino-5-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,2-thiazole-4-carboxamide (PubChem CID 103383507) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-amino-5-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,2-thiazole-4-carboxamide
PubChem CID103383507
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name3-amino-5-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,2-thiazole-4-carboxamide
SMILESCc1cccc(CN(C)c2snc(N)c2C(N)=O)n1
InChIInChI=1S/C12H15N5OS/c1-7-4-3-5-8(15-7)6-17(2)12-9(11(14)18)10(13)16-19-12/h3-5H,6H2,1-2H3,(H2,13,16)(H2,14,18)
InChIKeyUSCAZSXNIIXEAV-UHFFFAOYSA-N
XLogP1.16
TPSA98.13 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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,2-thiazole-4-carboxamide (CID 103383507) is 3-amino-5-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,2-thiazole-4-carboxamide is Cc1cccc(CN(C)c2snc(N)c2C(N)=O)n1.
What is the InChIKey of 3-amino-5-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,2-thiazole-4-carboxamide?
The InChIKey is USCAZSXNIIXEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-7-4-3-5-8(15-7)6-17(2)12-9(11(14)18)10(13)16-19-12/h3-5H,6H2,1-2H3,(H2,13,16)(H2,14,18).
What are the key properties of 3-amino-5-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,2-thiazole-4-carboxamide?
3-amino-5-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,2-thiazole-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103383507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).