1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide

C15H18N4O2S — CID 119833426

IUPAC1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)CC1
InChIInChI=1S/C15H18N4O2S/c16-15(3-4-15)13(20)17-10-1-2-11-12(9-10)22-14(18-11)19-5-7-21-8-6-19/h1-2,9H,3-8,16H2,(H,17,20)
InChIKeyXVHRDRYRQBGNGA-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.56
Rot. Bonds3

About 1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide

1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide (PubChem CID 119833426) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
PubChem CID119833426
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)CC1
InChIInChI=1S/C15H18N4O2S/c16-15(3-4-15)13(20)17-10-1-2-11-12(9-10)22-14(18-11)19-5-7-21-8-6-19/h1-2,9H,3-8,16H2,(H,17,20)
InChIKeyXVHRDRYRQBGNGA-UHFFFAOYSA-N
XLogP1.56
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide (CID 119833426) is 1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide is NC1(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)CC1.
What is the InChIKey of 1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide?
The InChIKey is XVHRDRYRQBGNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c16-15(3-4-15)13(20)17-10-1-2-11-12(9-10)22-14(18-11)19-5-7-21-8-6-19/h1-2,9H,3-8,16H2,(H,17,20).
What are the key properties of 1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide?
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119833426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).