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

C13H24N2S — CID 82428480

IUPACN-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine
SMILESCCCc1nc(CC)c(CNC(C)CC)s1
InChIInChI=1S/C13H24N2S/c1-5-8-13-15-11(7-3)12(16-13)9-14-10(4)6-2/h10,14H,5-9H2,1-4H3
InChIKeyRJIKEIXBAYPNAL-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.55
Rot. Bonds7

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

N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine (PubChem CID 82428480) 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]butan-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine
PubChem CID82428480
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine
SMILESCCCc1nc(CC)c(CNC(C)CC)s1
InChIInChI=1S/C13H24N2S/c1-5-8-13-15-11(7-3)12(16-13)9-14-10(4)6-2/h10,14H,5-9H2,1-4H3
InChIKeyRJIKEIXBAYPNAL-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-propyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82432156
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 104841978
4,5-diethyl-2-propyl-1,3-thiazole
CID 150030476
5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 82430873
N-[[4-(2-methylpropyl)-2-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368491
N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82432255
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 115715967
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82428482
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150582
N-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82429278
N-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82433326
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82428338

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The IUPAC name of N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine (CID 82428480) is N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine is CCCc1nc(CC)c(CNC(C)CC)s1.
What is the InChIKey of N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The InChIKey is RJIKEIXBAYPNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-5-8-13-15-11(7-3)12(16-13)9-14-10(4)6-2/h10,14H,5-9H2,1-4H3.
What are the key properties of N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine?
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.55, 7 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]butan-2-amine is sourced from PubChem (CID 82428480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).