N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-methyl-1,3-thiazole-4-carboxamide

C17H21N5O2S — CID 91770332

IUPACN-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CC(c3cc(N4CCC(O)C4)ncn3)C2)cs1
InChIInChI=1S/C17H21N5O2S/c1-10-20-15(8-25-10)17(24)21-12-4-11(5-12)14-6-16(19-9-18-14)22-3-2-13(23)7-22/h6,8-9,11-13,23H,2-5,7H2,1H3,(H,21,24)
InChIKeyHARUDNYJKOLLTB-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.49
Rot. Bonds4

About N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-methyl-1,3-thiazole-4-carboxamide

N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 91770332) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID91770332
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC NameN-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CC(c3cc(N4CCC(O)C4)ncn3)C2)cs1
InChIInChI=1S/C17H21N5O2S/c1-10-20-15(8-25-10)17(24)21-12-4-11(5-12)14-6-16(19-9-18-14)22-3-2-13(23)7-22/h6,8-9,11-13,23H,2-5,7H2,1H3,(H,21,24)
InChIKeyHARUDNYJKOLLTB-UHFFFAOYSA-N
XLogP1.49
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 91770332) is N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC2CC(c3cc(N4CCC(O)C4)ncn3)C2)cs1.
What is the InChIKey of N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is HARUDNYJKOLLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-10-20-15(8-25-10)17(24)21-12-4-11(5-12)14-6-16(19-9-18-14)22-3-2-13(23)7-22/h6,8-9,11-13,23H,2-5,7H2,1H3,(H,21,24).
What are the key properties of N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 359.46 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91770332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).