N-[(5-chloro-1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carboxamide

C12H13ClN4O2S — CID 138046718

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carboxamide
SMILESCn1c(Cl)cnc1CNC(=O)c1nc2c(s1)COCC2
InChIInChI=1S/C12H13ClN4O2S/c1-17-9(13)4-14-10(17)5-15-11(18)12-16-7-2-3-19-6-8(7)20-12/h4H,2-3,5-6H2,1H3,(H,15,18)
InChIKeyKFMODXZKPCSFPX-UHFFFAOYSA-N
MW312.78 g/mol
LogP1.53
Rot. Bonds3

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carboxamide

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carboxamide (PubChem CID 138046718) has the molecular formula C12H13ClN4O2S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carboxamide
PubChem CID138046718
Molecular FormulaC12H13ClN4O2S
Molecular Weight312.78 g/mol
Exact Mass312.04
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carboxamide
SMILESCn1c(Cl)cnc1CNC(=O)c1nc2c(s1)COCC2
InChIInChI=1S/C12H13ClN4O2S/c1-17-9(13)4-14-10(17)5-15-11(18)12-16-7-2-3-19-6-8(7)20-12/h4H,2-3,5-6H2,1H3,(H,15,18)
InChIKeyKFMODXZKPCSFPX-UHFFFAOYSA-N
XLogP1.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carboxamide?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carboxamide (CID 138046718) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carboxamide is Cn1c(Cl)cnc1CNC(=O)c1nc2c(s1)COCC2.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carboxamide?
The InChIKey is KFMODXZKPCSFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2S/c1-17-9(13)4-14-10(17)5-15-11(18)12-16-7-2-3-19-6-8(7)20-12/h4H,2-3,5-6H2,1H3,(H,15,18).
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carboxamide?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carboxamide has a molecular weight of 312.78 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 138046718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).