4-amino-1-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide

C13H18N4OS — CID 61479453

IUPAC4-amino-1-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C13H18N4OS/c1-4-17-6-9(14)5-11(17)12(18)16-13-15-10(7-19-13)8(2)3/h5-8H,4,14H2,1-3H3,(H,15,16,18)
InChIKeyHVDBBZHIRITOGG-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.92
Rot. Bonds4

About 4-amino-1-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide

4-amino-1-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide (PubChem CID 61479453) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
PubChem CID61479453
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-amino-1-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C13H18N4OS/c1-4-17-6-9(14)5-11(17)12(18)16-13-15-10(7-19-13)8(2)3/h5-8H,4,14H2,1-3H3,(H,15,16,18)
InChIKeyHVDBBZHIRITOGG-UHFFFAOYSA-N
XLogP2.92
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-propan-2-yl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 61479491
4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 61480650
4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide
CID 93254381
2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 55115833
2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479537
4-amino-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 93254371
4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide
CID 43643619
4-amino-N-(1-cyclopropylethyl)-1-ethylpyrrole-2-carboxamide
CID 43643685
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121511
4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide
CID 65475007
4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide
CID 43642219
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide (CID 61479453) is 4-amino-1-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)Nc1nc(C(C)C)cs1.
What is the InChIKey of 4-amino-1-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide?
The InChIKey is HVDBBZHIRITOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-4-17-6-9(14)5-11(17)12(18)16-13-15-10(7-19-13)8(2)3/h5-8H,4,14H2,1-3H3,(H,15,16,18).
What are the key properties of 4-amino-1-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide?
4-amino-1-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 61479453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).