2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide

C14H17N3O2S2 — CID 48574705

IUPAC2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)Nc2nc3c(s2)CCCCC3)cs1
InChIInChI=1S/C14H17N3O2S2/c1-19-7-12-15-10(8-20-12)13(18)17-14-16-9-5-3-2-4-6-11(9)21-14/h8H,2-7H2,1H3,(H,16,17,18)
InChIKeyPQMSEPJFLZNHBK-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.27
Rot. Bonds4

About 2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide

2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 48574705) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID48574705
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)Nc2nc3c(s2)CCCCC3)cs1
InChIInChI=1S/C14H17N3O2S2/c1-19-7-12-15-10(8-20-12)13(18)17-14-16-9-5-3-2-4-6-11(9)21-14/h8H,2-7H2,1H3,(H,16,17,18)
InChIKeyPQMSEPJFLZNHBK-UHFFFAOYSA-N
XLogP3.27
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 119700463
2-(2-aminoethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 120624911
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methoxyacetamide
CID 47379488
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 99841536
2-[(4-fluorophenoxy)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24672363
2-(methoxymethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 48574488
4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268
5-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 17191195
5-(ethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 104640590
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 48574705) is 2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide is COCc1nc(C(=O)Nc2nc3c(s2)CCCCC3)cs1.
What is the InChIKey of 2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is PQMSEPJFLZNHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-19-7-12-15-10(8-20-12)13(18)17-14-16-9-5-3-2-4-6-11(9)21-14/h8H,2-7H2,1H3,(H,16,17,18).
What are the key properties of 2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide?
2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 48574705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).