3-amino-5-[(2-methylpyrimidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

C13H18N6OS — CID 103378264

IUPAC3-amino-5-[(2-methylpyrimidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCc1nccc(CNc2snc(N)c2C(=O)NC(C)C)n1
InChIInChI=1S/C13H18N6OS/c1-7(2)17-12(20)10-11(14)19-21-13(10)16-6-9-4-5-15-8(3)18-9/h4-5,7,16H,6H2,1-3H3,(H2,14,19)(H,17,20)
InChIKeyCOBGKYNRFQTWRL-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.57
Rot. Bonds5

About 3-amino-5-[(2-methylpyrimidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-[(2-methylpyrimidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103378264) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is 3-amino-5-[(2-methylpyrimidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(2-methylpyrimidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103378264
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC Name3-amino-5-[(2-methylpyrimidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCc1nccc(CNc2snc(N)c2C(=O)NC(C)C)n1
InChIInChI=1S/C13H18N6OS/c1-7(2)17-12(20)10-11(14)19-21-13(10)16-6-9-4-5-15-8(3)18-9/h4-5,7,16H,6H2,1-3H3,(H2,14,19)(H,17,20)
InChIKeyCOBGKYNRFQTWRL-UHFFFAOYSA-N
XLogP1.57
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(2-methylpyrimidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(2-methylpyrimidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103378264) is 3-amino-5-[(2-methylpyrimidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(2-methylpyrimidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(2-methylpyrimidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is Cc1nccc(CNc2snc(N)c2C(=O)NC(C)C)n1.
What is the InChIKey of 3-amino-5-[(2-methylpyrimidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is COBGKYNRFQTWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-7(2)17-12(20)10-11(14)19-21-13(10)16-6-9-4-5-15-8(3)18-9/h4-5,7,16H,6H2,1-3H3,(H2,14,19)(H,17,20).
What are the key properties of 3-amino-5-[(2-methylpyrimidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[(2-methylpyrimidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 306.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(2-methylpyrimidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103378264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).