N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C14H23N3S2 — CID 107154688

IUPACN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCc1cnc(C(C)NC2=NCC(CC(C)C)S2)s1
InChIInChI=1S/C14H23N3S2/c1-5-11-7-15-13(18-11)10(4)17-14-16-8-12(19-14)6-9(2)3/h7,9-10,12H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyCUFJEHDCMFPIFH-UHFFFAOYSA-N
MW297.49 g/mol
LogP3.87
Rot. Bonds5

About N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154688) has the molecular formula C14H23N3S2 and a molecular weight of 297.49 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154688
Molecular FormulaC14H23N3S2
Molecular Weight297.49 g/mol
Exact Mass297.13
IUPAC NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCc1cnc(C(C)NC2=NCC(CC(C)C)S2)s1
InChIInChI=1S/C14H23N3S2/c1-5-11-7-15-13(18-11)10(4)17-14-16-8-12(19-14)6-9(2)3/h7,9-10,12H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyCUFJEHDCMFPIFH-UHFFFAOYSA-N
XLogP3.87
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107153676
N-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106014089
N-[1-(2-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154120
5-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154265
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-iodopyrimidin-2-amine
CID 104844066
5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 115681173
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine
CID 115726821
1-cyclobutyl-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115726794
N-[(1-ethylcyclobutyl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114108938
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114448693
N-[2-(5-bromothiophen-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106049503
N-ethyl-N-methyl-2-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide
CID 107154868

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154688) is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CCc1cnc(C(C)NC2=NCC(CC(C)C)S2)s1.
What is the InChIKey of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CUFJEHDCMFPIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S2/c1-5-11-7-15-13(18-11)10(4)17-14-16-8-12(19-14)6-9(2)3/h7,9-10,12H,5-6,8H2,1-4H3,(H,16,17).
What are the key properties of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 297.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).