N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide

C18H27N3O2S — CID 56827253

IUPACN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1csc(CCNC(=O)C2CCCN2C(=O)C2CC2)n1
InChIInChI=1S/C18H27N3O2S/c1-18(2,3)14-11-24-15(20-14)8-9-19-16(22)13-5-4-10-21(13)17(23)12-6-7-12/h11-13H,4-10H2,1-3H3,(H,19,22)
InChIKeyBCDBHAQWGPJACK-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.50
Rot. Bonds5

About N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide (PubChem CID 56827253) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
PubChem CID56827253
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1csc(CCNC(=O)C2CCCN2C(=O)C2CC2)n1
InChIInChI=1S/C18H27N3O2S/c1-18(2,3)14-11-24-15(20-14)8-9-19-16(22)13-5-4-10-21(13)17(23)12-6-7-12/h11-13H,4-10H2,1-3H3,(H,19,22)
InChIKeyBCDBHAQWGPJACK-UHFFFAOYSA-N
XLogP2.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 95598721
methyl (2R)-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 95598034
3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119878944
(3R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 96557631
1-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119878948
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 95598021
1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55174454
4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide
CID 126770233
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 126795411
3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide
CID 120503773
1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111104385
4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid
CID 80539316

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide (CID 56827253) is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide is CC(C)(C)c1csc(CCNC(=O)C2CCCN2C(=O)C2CC2)n1.
What is the InChIKey of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The InChIKey is BCDBHAQWGPJACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-18(2,3)14-11-24-15(20-14)8-9-19-16(22)13-5-4-10-21(13)17(23)12-6-7-12/h11-13H,4-10H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide?
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56827253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).