1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide

C14H17N3OS — CID 119753611

IUPAC1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
SMILESCC(C)c1nc2ccc(NC(=O)C3(N)CC3)cc2s1
InChIInChI=1S/C14H17N3OS/c1-8(2)12-17-10-4-3-9(7-11(10)19-12)16-13(18)14(15)5-6-14/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18)
InChIKeyAXRLPWBLOIGFPP-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.85
Rot. Bonds3

About 1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide

1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide (PubChem CID 119753611) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
PubChem CID119753611
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
SMILESCC(C)c1nc2ccc(NC(=O)C3(N)CC3)cc2s1
InChIInChI=1S/C14H17N3OS/c1-8(2)12-17-10-4-3-9(7-11(10)19-12)16-13(18)14(15)5-6-14/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18)
InChIKeyAXRLPWBLOIGFPP-UHFFFAOYSA-N
XLogP2.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 120626172
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CID 60866672
1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 43702585
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426
1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 119839211
1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxylic acid
CID 117407859
2-phenyl-2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)carbamoylamino]acetamide
CID 86807546
2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 95169004
dimethyl (E)-2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]but-2-enedioate
CID 168568132
N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119306074
4-(4-hydroxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71884392
1-amino-N-naphthalen-2-ylcyclopropane-1-carboxamide
CID 65464637

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide (CID 119753611) is 1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide is CC(C)c1nc2ccc(NC(=O)C3(N)CC3)cc2s1.
What is the InChIKey of 1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide?
The InChIKey is AXRLPWBLOIGFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-8(2)12-17-10-4-3-9(7-11(10)19-12)16-13(18)14(15)5-6-14/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18).
What are the key properties of 1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide?
1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119753611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).