[4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine

C13H18N2S2 — CID 114362054

IUPAC[4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCc1cscc1-c1nc(CC(C)C)c(CN)s1
InChIInChI=1S/C13H18N2S2/c1-8(2)4-11-12(5-14)17-13(15-11)10-7-16-6-9(10)3/h6-8H,4-5,14H2,1-3H3
InChIKeyUAJURGHMCMXIMJ-UHFFFAOYSA-N
MW266.44 g/mol
LogP3.84
Rot. Bonds4

About [4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine

[4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114362054) has the molecular formula C13H18N2S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is [4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID114362054
Molecular FormulaC13H18N2S2
Molecular Weight266.44 g/mol
Exact Mass266.09
IUPAC Name[4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCc1cscc1-c1nc(CC(C)C)c(CN)s1
InChIInChI=1S/C13H18N2S2/c1-8(2)4-11-12(5-14)17-13(15-11)10-7-16-6-9(10)3/h6-8H,4-5,14H2,1-3H3
InChIKeyUAJURGHMCMXIMJ-UHFFFAOYSA-N
XLogP3.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol
CID 136889282
[4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114362055
[2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362110
[4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 107920989
[2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362037
[2-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362007
[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine
CID 114362218
[2-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362030
[4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114361998
N-[[2-(4-methylthiophen-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114363941
[2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362179
N-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369512

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine (CID 114362054) is [4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine is Cc1cscc1-c1nc(CC(C)C)c(CN)s1.
What is the InChIKey of [4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is UAJURGHMCMXIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-8(2)4-11-12(5-14)17-13(15-11)10-7-16-6-9(10)3/h6-8H,4-5,14H2,1-3H3.
What are the key properties of [4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine?
[4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 266.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114362054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).