2-amino-N-(6-fluoro-1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

C16H16FN5OS — CID 167983588

IUPAC2-amino-N-(6-fluoro-1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
SMILESCn1c(NC(=O)C2CCCc3sc(N)nc32)nc2ccc(F)cc21
InChIInChI=1S/C16H16FN5OS/c1-22-11-7-8(17)5-6-10(11)19-16(22)21-14(23)9-3-2-4-12-13(9)20-15(18)24-12/h5-7,9H,2-4H2,1H3,(H2,18,20)(H,19,21,23)
InChIKeyLMVNXQKVDGUMHR-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.81
Rot. Bonds2

About 2-amino-N-(6-fluoro-1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

2-amino-N-(6-fluoro-1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide (PubChem CID 167983588) has the molecular formula C16H16FN5OS and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-amino-N-(6-fluoro-1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(6-fluoro-1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
PubChem CID167983588
Molecular FormulaC16H16FN5OS
Molecular Weight345.40 g/mol
Exact Mass345.11
IUPAC Name2-amino-N-(6-fluoro-1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
SMILESCn1c(NC(=O)C2CCCc3sc(N)nc32)nc2ccc(F)cc21
InChIInChI=1S/C16H16FN5OS/c1-22-11-7-8(17)5-6-10(11)19-16(22)21-14(23)9-3-2-4-12-13(9)20-15(18)24-12/h5-7,9H,2-4H2,1H3,(H2,18,20)(H,19,21,23)
InChIKeyLMVNXQKVDGUMHR-UHFFFAOYSA-N
XLogP2.81
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-(6-fluoro-1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide with MolForge

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Related Compounds

2-amino-N-[1-(2,2,2-trifluoroethyl)benzimidazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 166313976
2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid;hydrochloride
CID 119041795
2-amino-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 167988961
3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119816279
2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-4-carboxylic acid
CID 84679162
N-(4-fluorophenyl)-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945756
4-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carbonyl)amino]oxane-4-carboxylic acid
CID 166337908
N-(3-fluorophenyl)-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945755
N-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)thiane-3-carboxamide
CID 166329341
4-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carbonyl)amino]oxane-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 166337907
(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 87488588
(2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid
CID 122059626

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-fluoro-1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(6-fluoro-1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide (CID 167983588) is 2-amino-N-(6-fluoro-1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(6-fluoro-1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(6-fluoro-1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide is Cn1c(NC(=O)C2CCCc3sc(N)nc32)nc2ccc(F)cc21.
What is the InChIKey of 2-amino-N-(6-fluoro-1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
The InChIKey is LMVNXQKVDGUMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5OS/c1-22-11-7-8(17)5-6-10(11)19-16(22)21-14(23)9-3-2-4-12-13(9)20-15(18)24-12/h5-7,9H,2-4H2,1H3,(H2,18,20)(H,19,21,23).
What are the key properties of 2-amino-N-(6-fluoro-1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
2-amino-N-(6-fluoro-1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-fluoro-1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide is sourced from PubChem (CID 167983588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).