N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide

C12H17N5OS — CID 66121511

IUPACN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2nc(C(C)N)cs2)n(C)n1
InChIInChI=1S/C12H17N5OS/c1-4-8-5-10(17(3)16-8)11(18)15-12-14-9(6-19-12)7(2)13/h5-7H,4,13H2,1-3H3,(H,14,15,18)
InChIKeyDMDXQKFEDWNESE-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.71
Rot. Bonds4

About N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66121511) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66121511
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2nc(C(C)N)cs2)n(C)n1
InChIInChI=1S/C12H17N5OS/c1-4-8-5-10(17(3)16-8)11(18)15-12-14-9(6-19-12)7(2)13/h5-7H,4,13H2,1-3H3,(H,14,15,18)
InChIKeyDMDXQKFEDWNESE-UHFFFAOYSA-N
XLogP1.71
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121131
[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea
CID 64557109
ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate
CID 64556710
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114308825
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 77113214
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 64555861
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,3-dihydroxybenzamide
CID 114343473
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 64557648
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 64558447
4-amino-1-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 61479453
(2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 66120326
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66121511) is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2nc(C(C)N)cs2)n(C)n1.
What is the InChIKey of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is DMDXQKFEDWNESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-4-8-5-10(17(3)16-8)11(18)15-12-14-9(6-19-12)7(2)13/h5-7H,4,13H2,1-3H3,(H,14,15,18).
What are the key properties of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide?
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66121511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).