4-amino-1-cyclopropyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrole-2-carboxamide

C15H20N4OS — CID 61193655

IUPAC4-amino-1-cyclopropyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrole-2-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)c2cc(N)cn2C2CC2)s1
InChIInChI=1S/C15H20N4OS/c1-8-14(21-10(3)17-8)9(2)18-15(20)13-6-11(16)7-19(13)12-4-5-12/h6-7,9,12H,4-5,16H2,1-3H3,(H,18,20)
InChIKeyUFBGCAPUHRPYDW-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.97
Rot. Bonds4

About 4-amino-1-cyclopropyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrole-2-carboxamide (PubChem CID 61193655) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrole-2-carboxamide
PubChem CID61193655
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-amino-1-cyclopropyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrole-2-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)c2cc(N)cn2C2CC2)s1
InChIInChI=1S/C15H20N4OS/c1-8-14(21-10(3)17-8)9(2)18-15(20)13-6-11(16)7-19(13)12-4-5-12/h6-7,9,12H,4-5,16H2,1-3H3,(H,18,20)
InChIKeyUFBGCAPUHRPYDW-UHFFFAOYSA-N
XLogP2.97
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrole-2-carboxamide (CID 61193655) is 4-amino-1-cyclopropyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrole-2-carboxamide is Cc1nc(C)c(C(C)NC(=O)c2cc(N)cn2C2CC2)s1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrole-2-carboxamide?
The InChIKey is UFBGCAPUHRPYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-8-14(21-10(3)17-8)9(2)18-15(20)13-6-11(16)7-19(13)12-4-5-12/h6-7,9,12H,4-5,16H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-1-cyclopropyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrole-2-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 61193655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).