1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide

C18H24N4OS — CID 119839211

IUPAC1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)CCCCC1
InChIInChI=1S/C18H24N4OS/c19-18(8-2-1-3-9-18)16(23)20-13-6-7-14-15(12-13)24-17(21-14)22-10-4-5-11-22/h6-7,12H,1-5,8-11,19H2,(H,20,23)
InChIKeyDCLSWVOUSYOPKD-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.50
Rot. Bonds3

About 1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide

1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide (PubChem CID 119839211) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
PubChem CID119839211
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)CCCCC1
InChIInChI=1S/C18H24N4OS/c19-18(8-2-1-3-9-18)16(23)20-13-6-7-14-15(12-13)24-17(21-14)22-10-4-5-11-22/h6-7,12H,1-5,8-11,19H2,(H,20,23)
InChIKeyDCLSWVOUSYOPKD-UHFFFAOYSA-N
XLogP3.50
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
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(2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide
CID 119839191
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1,1-dioxo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)thiolane-3-carboxamide
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1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
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2-bromo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 42013873
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 118618781
2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 120797488
3-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide (CID 119839211) is 1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide is NC1(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)CCCCC1.
What is the InChIKey of 1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide?
The InChIKey is DCLSWVOUSYOPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c19-18(8-2-1-3-9-18)16(23)20-13-6-7-14-15(12-13)24-17(21-14)22-10-4-5-11-22/h6-7,12H,1-5,8-11,19H2,(H,20,23).
What are the key properties of 1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide?
1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119839211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).