N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine

C13H24N2S — CID 104841978

IUPACN-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
SMILESCCCc1nc(CC)c(CNC(C)(C)C)s1
InChIInChI=1S/C13H24N2S/c1-6-8-12-15-10(7-2)11(16-12)9-14-13(3,4)5/h14H,6-9H2,1-5H3
InChIKeyKFZCQWNULVUMLY-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.55
Rot. Bonds5

About N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine

N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine (PubChem CID 104841978) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
PubChem CID104841978
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
SMILESCCCc1nc(CC)c(CNC(C)(C)C)s1
InChIInChI=1S/C13H24N2S/c1-6-8-12-15-10(7-2)11(16-12)9-14-13(3,4)5/h14H,6-9H2,1-5H3
InChIKeyKFZCQWNULVUMLY-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113459711
N-[[2-(2,2-dimethylpropyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 104841999
N-[[4-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 102929001
4,5-diethyl-2-propyl-1,3-thiazole
CID 150030476
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364603
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82428480
5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 62765856
5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 114364576
N-[[4-ethyl-2-(2-methoxybutan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116778107
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82428482
N-[[2-[(4-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 104842020
5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-pentan-2-yl-1,3-thiazol-2-amine
CID 62769033

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine (CID 104841978) is N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine is CCCc1nc(CC)c(CNC(C)(C)C)s1.
What is the InChIKey of N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is KFZCQWNULVUMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-6-8-12-15-10(7-2)11(16-12)9-14-13(3,4)5/h14H,6-9H2,1-5H3.
What are the key properties of N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine?
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104841978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).