5-chloro-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide

C18H15ClN4OS2 — CID 36771979

IUPAC5-chloro-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)n1
InChIInChI=1S/C18H15ClN4OS2/c1-25-17-20-8-13(19)15(22-17)16(24)23-18-21-14(9-26-18)12-6-5-10-3-2-4-11(10)7-12/h5-9H,2-4H2,1H3,(H,21,23,24)
InChIKeyYTRAATWVKOKPGT-UHFFFAOYSA-N
MW402.93 g/mol
LogP4.72
Rot. Bonds4

About 5-chloro-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide

5-chloro-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide (PubChem CID 36771979) has the molecular formula C18H15ClN4OS2 and a molecular weight of 402.93 g/mol. Its IUPAC name is 5-chloro-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide
PubChem CID36771979
Molecular FormulaC18H15ClN4OS2
Molecular Weight402.93 g/mol
Exact Mass402.04
IUPAC Name5-chloro-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)n1
InChIInChI=1S/C18H15ClN4OS2/c1-25-17-20-8-13(19)15(22-17)16(24)23-18-21-14(9-26-18)12-6-5-10-3-2-4-11(10)7-12/h5-9H,2-4H2,1H3,(H,21,23,24)
InChIKeyYTRAATWVKOKPGT-UHFFFAOYSA-N
XLogP4.72
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 30289372
5-chloro-2-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 7915538
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 4142849
2-fluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 4089252
2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119264633
1-methyl-6-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide
CID 8023683
2-chloro-5-nitro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 19226631
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24586345
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 24569835
2,6-dimethoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 5074710
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)acetamide
CID 35804890
1-(4-chlorophenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 7915551

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide (CID 36771979) is 5-chloro-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide is CSc1ncc(Cl)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)n1.
What is the InChIKey of 5-chloro-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide?
The InChIKey is YTRAATWVKOKPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4OS2/c1-25-17-20-8-13(19)15(22-17)16(24)23-18-21-14(9-26-18)12-6-5-10-3-2-4-11(10)7-12/h5-9H,2-4H2,1H3,(H,21,23,24).
What are the key properties of 5-chloro-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide?
5-chloro-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide has a molecular weight of 402.93 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide is sourced from PubChem (CID 36771979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).