N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

C16H19N3O2S — CID 102556261

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCC1COc2ccccc2C1
InChIInChI=1S/C16H19N3O2S/c1-10-14(16(17-2)22-19-10)15(20)18-8-11-7-12-5-3-4-6-13(12)21-9-11/h3-6,11,17H,7-9H2,1-2H3,(H,18,20)
InChIKeyKELFTOLWZXDMCG-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.47
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (PubChem CID 102556261) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
PubChem CID102556261
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCC1COc2ccccc2C1
InChIInChI=1S/C16H19N3O2S/c1-10-14(16(17-2)22-19-10)15(20)18-8-11-7-12-5-3-4-6-13(12)21-9-11/h3-6,11,17H,7-9H2,1-2H3,(H,18,20)
InChIKeyKELFTOLWZXDMCG-UHFFFAOYSA-N
XLogP2.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (CID 102556261) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)NCC1COc2ccccc2C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is KELFTOLWZXDMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10-14(16(17-2)22-19-10)15(20)18-8-11-7-12-5-3-4-6-13(12)21-9-11/h3-6,11,17H,7-9H2,1-2H3,(H,18,20).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 102556261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).