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

C14H24N2S — CID 82436157

IUPACN-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCCCc1nc(C2CC2)c(CNCC(C)C)s1
InChIInChI=1S/C14H24N2S/c1-4-5-13-16-14(11-6-7-11)12(17-13)9-15-8-10(2)3/h10-11,15H,4-9H2,1-3H3
InChIKeyYUQXLYHWRIKCAH-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.72
Rot. Bonds7

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

N-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine (PubChem CID 82436157) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
PubChem CID82436157
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCCCc1nc(C2CC2)c(CNCC(C)C)s1
InChIInChI=1S/C14H24N2S/c1-4-5-13-16-14(11-6-7-11)12(17-13)9-15-8-10(2)3/h10-11,15H,4-9H2,1-3H3
InChIKeyYUQXLYHWRIKCAH-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82436752
1-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 82436151
N-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436887
2-methyl-N-[(4-propan-2-yl-2-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82433844
N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82432254
N,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 63917342
N-[(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436018
N-[[4-(2-methylpropyl)-2-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368491
4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 81064681
2-methyl-N-[(2-methyl-4-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82431222
N-[(4-cyclopropyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436305
N-[[4-cyclopropyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82437800

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine (CID 82436157) is N-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine is CCCc1nc(C2CC2)c(CNCC(C)C)s1.
What is the InChIKey of N-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is YUQXLYHWRIKCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-5-13-16-14(11-6-7-11)12(17-13)9-15-8-10(2)3/h10-11,15H,4-9H2,1-3H3.
What are the key properties of N-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
N-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82436157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).