5-chloro-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C18H18ClN5O2S — CID 55922008

IUPAC5-chloro-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1cc(-c2csc(NC(=O)c3nc(N4CCCC4)ncc3Cl)n2)c(C)o1
InChIInChI=1S/C18H18ClN5O2S/c1-10-7-12(11(2)26-10)14-9-27-18(21-14)23-16(25)15-13(19)8-20-17(22-15)24-5-3-4-6-24/h7-9H,3-6H2,1-2H3,(H,21,23,25)
InChIKeyCMSOQBRPHMWVOP-UHFFFAOYSA-N
MW403.90 g/mol
LogP4.32
Rot. Bonds4

About 5-chloro-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

5-chloro-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 55922008) has the molecular formula C18H18ClN5O2S and a molecular weight of 403.90 g/mol. Its IUPAC name is 5-chloro-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID55922008
Molecular FormulaC18H18ClN5O2S
Molecular Weight403.90 g/mol
Exact Mass403.09
IUPAC Name5-chloro-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1cc(-c2csc(NC(=O)c3nc(N4CCCC4)ncc3Cl)n2)c(C)o1
InChIInChI=1S/C18H18ClN5O2S/c1-10-7-12(11(2)26-10)14-9-27-18(21-14)23-16(25)15-13(19)8-20-17(22-15)24-5-3-4-6-24/h7-9H,3-6H2,1-2H3,(H,21,23,25)
InChIKeyCMSOQBRPHMWVOP-UHFFFAOYSA-N
XLogP4.32
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.90
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47046697
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]acetamide
CID 47066446
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119300523
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 52713593
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 55922780
5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 87028695
N-(4-carbamoyl-2-methylphenyl)-5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47047164
(2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride
CID 119300524
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55922002
5-chloro-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55807381
5-chloro-N-(3-iodophenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55736428
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-ethoxy-1H-indole-2-carboxamide
CID 55976160

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 55922008) is 5-chloro-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is Cc1cc(-c2csc(NC(=O)c3nc(N4CCCC4)ncc3Cl)n2)c(C)o1.
What is the InChIKey of 5-chloro-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is CMSOQBRPHMWVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2S/c1-10-7-12(11(2)26-10)14-9-27-18(21-14)23-16(25)15-13(19)8-20-17(22-15)24-5-3-4-6-24/h7-9H,3-6H2,1-2H3,(H,21,23,25).
What are the key properties of 5-chloro-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
5-chloro-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 403.90 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 55922008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).