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

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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).