N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide

C15H23N3O2S — CID 814106

IUPACN-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCc1nc(NC(=O)CN(C(=O)C2CC2)C(C)(C)C)sc1C
InChIInChI=1S/C15H23N3O2S/c1-9-10(2)21-14(16-9)17-12(19)8-18(15(3,4)5)13(20)11-6-7-11/h11H,6-8H2,1-5H3,(H,16,17,19)
InChIKeyZKTNCKMQXZYCIF-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.74
Rot. Bonds4

About N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide

N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 814106) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID814106
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCc1nc(NC(=O)CN(C(=O)C2CC2)C(C)(C)C)sc1C
InChIInChI=1S/C15H23N3O2S/c1-9-10(2)21-14(16-9)17-12(19)8-18(15(3,4)5)13(20)11-6-7-11/h11H,6-8H2,1-5H3,(H,16,17,19)
InChIKeyZKTNCKMQXZYCIF-UHFFFAOYSA-N
XLogP2.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 5241180
N-tert-butyl-3,5-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4569748
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide
CID 3310913
N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
CID 4217524
N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide
CID 4584251
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 3383835
3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 4130975
6-amino-N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide
CID 42793787
N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 4087290
N-[2-(dimethylamino)ethyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 3536258
2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 42768385

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide (CID 814106) is N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide is Cc1nc(NC(=O)CN(C(=O)C2CC2)C(C)(C)C)sc1C.
What is the InChIKey of N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is ZKTNCKMQXZYCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-9-10(2)21-14(16-9)17-12(19)8-18(15(3,4)5)13(20)11-6-7-11/h11H,6-8H2,1-5H3,(H,16,17,19).
What are the key properties of N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide?
N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 309.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 814106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).