2-(1,3-benzothiazol-5-ylamino)-4-(cyclopropylamino)pyrimidine-5-carboxamide

C15H14N6OS — CID 58014846

IUPAC2-(1,3-benzothiazol-5-ylamino)-4-(cyclopropylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc3scnc3c2)nc1NC1CC1
InChIInChI=1S/C15H14N6OS/c16-13(22)10-6-17-15(21-14(10)19-8-1-2-8)20-9-3-4-12-11(5-9)18-7-23-12/h3-8H,1-2H2,(H2,16,22)(H2,17,19,20,21)
InChIKeyOGQSAZZFJWBFAU-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.50
Rot. Bonds5

About 2-(1,3-benzothiazol-5-ylamino)-4-(cyclopropylamino)pyrimidine-5-carboxamide

2-(1,3-benzothiazol-5-ylamino)-4-(cyclopropylamino)pyrimidine-5-carboxamide (PubChem CID 58014846) has the molecular formula C15H14N6OS and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-5-ylamino)-4-(cyclopropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-5-ylamino)-4-(cyclopropylamino)pyrimidine-5-carboxamide
PubChem CID58014846
Molecular FormulaC15H14N6OS
Molecular Weight326.39 g/mol
Exact Mass326.09
IUPAC Name2-(1,3-benzothiazol-5-ylamino)-4-(cyclopropylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc3scnc3c2)nc1NC1CC1
InChIInChI=1S/C15H14N6OS/c16-13(22)10-6-17-15(21-14(10)19-8-1-2-8)20-9-3-4-12-11(5-9)18-7-23-12/h3-8H,1-2H2,(H2,16,22)(H2,17,19,20,21)
InChIKeyOGQSAZZFJWBFAU-UHFFFAOYSA-N
XLogP2.50
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-5-ylamino)-4-(cyclopropylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-(1,3-benzothiazol-5-ylamino)-4-(cyclopropylamino)pyrimidine-5-carboxamide (CID 58014846) is 2-(1,3-benzothiazol-5-ylamino)-4-(cyclopropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1,3-benzothiazol-5-ylamino)-4-(cyclopropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(1,3-benzothiazol-5-ylamino)-4-(cyclopropylamino)pyrimidine-5-carboxamide is NC(=O)c1cnc(Nc2ccc3scnc3c2)nc1NC1CC1.
What is the InChIKey of 2-(1,3-benzothiazol-5-ylamino)-4-(cyclopropylamino)pyrimidine-5-carboxamide?
The InChIKey is OGQSAZZFJWBFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS/c16-13(22)10-6-17-15(21-14(10)19-8-1-2-8)20-9-3-4-12-11(5-9)18-7-23-12/h3-8H,1-2H2,(H2,16,22)(H2,17,19,20,21).
What are the key properties of 2-(1,3-benzothiazol-5-ylamino)-4-(cyclopropylamino)pyrimidine-5-carboxamide?
2-(1,3-benzothiazol-5-ylamino)-4-(cyclopropylamino)pyrimidine-5-carboxamide has a molecular weight of 326.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-5-ylamino)-4-(cyclopropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 58014846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).