N-cyclopropyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide

C11H11N5OS — CID 117083123

IUPACN-cyclopropyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(Nc2ccncn2)s1
InChIInChI=1S/C11H11N5OS/c17-10(15-7-1-2-7)8-5-13-11(18-8)16-9-3-4-12-6-14-9/h3-7H,1-2H2,(H,15,17)(H,12,13,14,16)
InChIKeyWMHFKPMMILOULC-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.57
Rot. Bonds4

About N-cyclopropyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide

N-cyclopropyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 117083123) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is N-cyclopropyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID117083123
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC NameN-cyclopropyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(Nc2ccncn2)s1
InChIInChI=1S/C11H11N5OS/c17-10(15-7-1-2-7)8-5-13-11(18-8)16-9-3-4-12-6-14-9/h3-7H,1-2H2,(H,15,17)(H,12,13,14,16)
InChIKeyWMHFKPMMILOULC-UHFFFAOYSA-N
XLogP1.57
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide (CID 117083123) is N-cyclopropyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide is O=C(NC1CC1)c1cnc(Nc2ccncn2)s1.
What is the InChIKey of N-cyclopropyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is WMHFKPMMILOULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c17-10(15-7-1-2-7)8-5-13-11(18-8)16-9-3-4-12-6-14-9/h3-7H,1-2H2,(H,15,17)(H,12,13,14,16).
What are the key properties of N-cyclopropyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
N-cyclopropyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117083123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).