N-(4-tert-butylcyclohexyl)-N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]acetamide

C21H35N3OS — CID 59542756

IUPACN-(4-tert-butylcyclohexyl)-N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCCN(c1nc(CN(C(C)=O)C2CCC(C(C)(C)C)CC2)cs1)C1CC1
InChIInChI=1S/C21H35N3OS/c1-6-23(18-11-12-18)20-22-17(14-26-20)13-24(15(2)25)19-9-7-16(8-10-19)21(3,4)5/h14,16,18-19H,6-13H2,1-5H3
InChIKeyTVBDPLCUMQWGRC-UHFFFAOYSA-N
MW377.60 g/mol
LogP5.09
Rot. Bonds6

About N-(4-tert-butylcyclohexyl)-N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]acetamide

N-(4-tert-butylcyclohexyl)-N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 59542756) has the molecular formula C21H35N3OS and a molecular weight of 377.60 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID59542756
Molecular FormulaC21H35N3OS
Molecular Weight377.60 g/mol
Exact Mass377.25
IUPAC NameN-(4-tert-butylcyclohexyl)-N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCCN(c1nc(CN(C(C)=O)C2CCC(C(C)(C)C)CC2)cs1)C1CC1
InChIInChI=1S/C21H35N3OS/c1-6-23(18-11-12-18)20-22-17(14-26-20)13-24(15(2)25)19-9-7-16(8-10-19)21(3,4)5/h14,16,18-19H,6-13H2,1-5H3
InChIKeyTVBDPLCUMQWGRC-UHFFFAOYSA-N
XLogP5.09
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.60
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]acetamide (CID 59542756) is N-(4-tert-butylcyclohexyl)-N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]acetamide is CCN(c1nc(CN(C(C)=O)C2CCC(C(C)(C)C)CC2)cs1)C1CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is TVBDPLCUMQWGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3OS/c1-6-23(18-11-12-18)20-22-17(14-26-20)13-24(15(2)25)19-9-7-16(8-10-19)21(3,4)5/h14,16,18-19H,6-13H2,1-5H3.
What are the key properties of N-(4-tert-butylcyclohexyl)-N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]acetamide?
N-(4-tert-butylcyclohexyl)-N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 377.60 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 59542756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).