N-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C12H15N5OS — CID 119495185

IUPACN-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(N)CCNC(=O)c1cnc(-c2ncccn2)s1
InChIInChI=1S/C12H15N5OS/c1-8(13)3-6-16-11(18)9-7-17-12(19-9)10-14-4-2-5-15-10/h2,4-5,7-8H,3,6,13H2,1H3,(H,16,18)
InChIKeyNIYLOMHIYBDNMY-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.07
Rot. Bonds5

About N-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 119495185) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID119495185
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(N)CCNC(=O)c1cnc(-c2ncccn2)s1
InChIInChI=1S/C12H15N5OS/c1-8(13)3-6-16-11(18)9-7-17-12(19-9)10-14-4-2-5-15-10/h2,4-5,7-8H,3,6,13H2,1H3,(H,16,18)
InChIKeyNIYLOMHIYBDNMY-UHFFFAOYSA-N
XLogP1.07
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 119495185) is N-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CC(N)CCNC(=O)c1cnc(-c2ncccn2)s1.
What is the InChIKey of N-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is NIYLOMHIYBDNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-8(13)3-6-16-11(18)9-7-17-12(19-9)10-14-4-2-5-15-10/h2,4-5,7-8H,3,6,13H2,1H3,(H,16,18).
What are the key properties of N-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119495185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).