N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-tert-butylcyclohexane-1-carboxamide

C16H27N3OS — CID 64556065

IUPACN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-tert-butylcyclohexane-1-carboxamide
SMILESCC(N)c1csc(NC(=O)C2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C16H27N3OS/c1-10(17)13-9-21-15(18-13)19-14(20)11-5-7-12(8-6-11)16(2,3)4/h9-12H,5-8,17H2,1-4H3,(H,18,19,20)
InChIKeyPVACWVCDMARWNB-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.95
Rot. Bonds3

About N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-tert-butylcyclohexane-1-carboxamide

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-tert-butylcyclohexane-1-carboxamide (PubChem CID 64556065) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-tert-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-tert-butylcyclohexane-1-carboxamide
PubChem CID64556065
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-tert-butylcyclohexane-1-carboxamide
SMILESCC(N)c1csc(NC(=O)C2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C16H27N3OS/c1-10(17)13-9-21-15(18-13)19-14(20)11-5-7-12(8-6-11)16(2,3)4/h9-12H,5-8,17H2,1-4H3,(H,18,19,20)
InChIKeyPVACWVCDMARWNB-UHFFFAOYSA-N
XLogP3.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-tert-butylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea
CID 64557109
ethyl 2-[2-[(4-tert-butylcyclohexanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 46510209
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-methyloxolane-3-carboxamide
CID 79758731
N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 54958477
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide
CID 64556265
4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 64542838
4-tert-butyl-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 9246533
ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate
CID 64556710
1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 73439343
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64558448
1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 110246586
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 64556257

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-tert-butylcyclohexane-1-carboxamide?
The IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-tert-butylcyclohexane-1-carboxamide (CID 64556065) is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-tert-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-tert-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-tert-butylcyclohexane-1-carboxamide is CC(N)c1csc(NC(=O)C2CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-tert-butylcyclohexane-1-carboxamide?
The InChIKey is PVACWVCDMARWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-10(17)13-9-21-15(18-13)19-14(20)11-5-7-12(8-6-11)16(2,3)4/h9-12H,5-8,17H2,1-4H3,(H,18,19,20).
What are the key properties of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-tert-butylcyclohexane-1-carboxamide?
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-tert-butylcyclohexane-1-carboxamide has a molecular weight of 309.48 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-tert-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 64556065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).