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

C16H18N4OS — CID 128533423

IUPACN,N-di(cyclobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESO=C(c1cnc(-c2ncccn2)s1)N(C1CCC1)C1CCC1
InChIInChI=1S/C16H18N4OS/c21-16(20(11-4-1-5-11)12-6-2-7-12)13-10-19-15(22-13)14-17-8-3-9-18-14/h3,8-12H,1-2,4-7H2
InChIKeyLUGVQCLFJQXBPY-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.15
Rot. Bonds4

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

N,N-di(cyclobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 128533423) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is N,N-di(cyclobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N-di(cyclobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID128533423
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC NameN,N-di(cyclobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESO=C(c1cnc(-c2ncccn2)s1)N(C1CCC1)C1CCC1
InChIInChI=1S/C16H18N4OS/c21-16(20(11-4-1-5-11)12-6-2-7-12)13-10-19-15(22-13)14-17-8-3-9-18-14/h3,8-12H,1-2,4-7H2
InChIKeyLUGVQCLFJQXBPY-UHFFFAOYSA-N
XLogP3.15
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-di(cyclobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N-di(cyclobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 128533423) is N,N-di(cyclobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N-di(cyclobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N-di(cyclobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is O=C(c1cnc(-c2ncccn2)s1)N(C1CCC1)C1CCC1.
What is the InChIKey of N,N-di(cyclobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is LUGVQCLFJQXBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c21-16(20(11-4-1-5-11)12-6-2-7-12)13-10-19-15(22-13)14-17-8-3-9-18-14/h3,8-12H,1-2,4-7H2.
What are the key properties of N,N-di(cyclobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N,N-di(cyclobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(cyclobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 128533423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).