N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide

C16H15N5OS — CID 166318457

IUPACN-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide
SMILESNc1nc2c(s1)C[C@@H](NC(=O)c1ncc3ccccc3n1)CC2
InChIInChI=1S/C16H15N5OS/c17-16-21-12-6-5-10(7-13(12)23-16)19-15(22)14-18-8-9-3-1-2-4-11(9)20-14/h1-4,8,10H,5-7H2,(H2,17,21)(H,19,22)/t10-/m0/s1
InChIKeySBNLJHJHYISVKK-JTQLQIEISA-N
MW325.40 g/mol
LogP1.96
Rot. Bonds2

About N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide

N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide (PubChem CID 166318457) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide
PubChem CID166318457
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC NameN-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide
SMILESNc1nc2c(s1)C[C@@H](NC(=O)c1ncc3ccccc3n1)CC2
InChIInChI=1S/C16H15N5OS/c17-16-21-12-6-5-10(7-13(12)23-16)19-15(22)14-18-8-9-3-1-2-4-11(9)20-14/h1-4,8,10H,5-7H2,(H2,17,21)(H,19,22)/t10-/m0/s1
InChIKeySBNLJHJHYISVKK-JTQLQIEISA-N
XLogP1.96
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide with MolForge

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Related Compounds

N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-phenylbenzamide
CID 110867733
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-4-fluorobenzamide
CID 110867709
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-fluorobenzamide
CID 110867708
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide
CID 86312812
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide
CID 87704338
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 138003509
N-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)amino]ethyl]cyclohexyl]naphthalene-2-carboxamide
CID 74390463
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(1,3-dioxolan-2-yl)acetamide
CID 155952110
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 110866748
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(4-chlorophenyl)-2-methylpropanamide
CID 138003501
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]propanamide;(6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 175005405
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 166211033

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide?
The IUPAC name of N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide (CID 166318457) is N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide.
What is the SMILES notation for N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide?
The canonical SMILES for N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide is Nc1nc2c(s1)C[C@@H](NC(=O)c1ncc3ccccc3n1)CC2.
What is the InChIKey of N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide?
The InChIKey is SBNLJHJHYISVKK-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15N5OS/c17-16-21-12-6-5-10(7-13(12)23-16)19-15(22)14-18-8-9-3-1-2-4-11(9)20-14/h1-4,8,10H,5-7H2,(H2,17,21)(H,19,22)/t10-/m0/s1.
What are the key properties of N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide?
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide has a molecular weight of 325.40 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide is sourced from PubChem (CID 166318457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).