4-(cyclopropylamino)-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]pyrimidine-5-carboxamide

C17H17N7O3S2 — CID 58014801

IUPAC4-(cyclopropylamino)-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)nc1NC1CC1
InChIInChI=1S/C17H17N7O3S2/c18-14(25)13-9-20-16(23-15(13)21-10-1-2-10)22-11-3-5-12(6-4-11)29(26,27)24-17-19-7-8-28-17/h3-10H,1-2H2,(H2,18,25)(H,19,24)(H2,20,21,22,23)
InChIKeyWRJYZDQGFSKFRM-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.15
Rot. Bonds8

About 4-(cyclopropylamino)-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]pyrimidine-5-carboxamide

4-(cyclopropylamino)-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]pyrimidine-5-carboxamide (PubChem CID 58014801) has the molecular formula C17H17N7O3S2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-(cyclopropylamino)-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]pyrimidine-5-carboxamide
PubChem CID58014801
Molecular FormulaC17H17N7O3S2
Molecular Weight431.50 g/mol
Exact Mass431.08
IUPAC Name4-(cyclopropylamino)-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)nc1NC1CC1
InChIInChI=1S/C17H17N7O3S2/c18-14(25)13-9-20-16(23-15(13)21-10-1-2-10)22-11-3-5-12(6-4-11)29(26,27)24-17-19-7-8-28-17/h3-10H,1-2H2,(H2,18,25)(H,19,24)(H2,20,21,22,23)
InChIKeyWRJYZDQGFSKFRM-UHFFFAOYSA-N
XLogP2.15
TPSA151.99 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]pyrimidine-5-carboxamide (CID 58014801) is 4-(cyclopropylamino)-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]pyrimidine-5-carboxamide is NC(=O)c1cnc(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)nc1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]pyrimidine-5-carboxamide?
The InChIKey is WRJYZDQGFSKFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O3S2/c18-14(25)13-9-20-16(23-15(13)21-10-1-2-10)22-11-3-5-12(6-4-11)29(26,27)24-17-19-7-8-28-17/h3-10H,1-2H2,(H2,18,25)(H,19,24)(H2,20,21,22,23).
What are the key properties of 4-(cyclopropylamino)-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]pyrimidine-5-carboxamide?
4-(cyclopropylamino)-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]pyrimidine-5-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.15, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 58014801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).