ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine

C9H18N2S — CID 142312130

IUPACethane;4-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCC.CC(C)Cc1csc(N)n1
InChIInChI=1S/C7H12N2S.C2H6/c1-5(2)3-6-4-10-7(8)9-6;1-2/h4-5H,3H2,1-2H3,(H2,8,9);1-2H3
InChIKeyQVHGGVFYDQASHB-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.95
Rot. Bonds2

About ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine

ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 142312130) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Nameethane;4-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID142312130
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Nameethane;4-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCC.CC(C)Cc1csc(N)n1
InChIInChI=1S/C7H12N2S.C2H6/c1-5(2)3-6-4-10-7(8)9-6;1-2/h4-5H,3H2,1-2H3,(H2,8,9);1-2H3
InChIKeyQVHGGVFYDQASHB-UHFFFAOYSA-N
XLogP2.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine
CID 114011149
4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65485437
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 21090604
2-[[(1S)-2-(2-amino-1,3-thiazol-4-yl)-1-carboxyethyl]amino]-4-methylpentanoic acid
CID 59100926
N-methyl-4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 59665191
2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
CID 116965082
4-[(1-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 82475637
3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butan-1-amine
CID 116969696
N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 58115634
4-(pentan-2-yloxymethyl)-1,3-thiazol-2-amine
CID 102981948
2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
CID 116965203

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine (CID 142312130) is ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine is CC.CC(C)Cc1csc(N)n1.
What is the InChIKey of ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is QVHGGVFYDQASHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S.C2H6/c1-5(2)3-6-4-10-7(8)9-6;1-2/h4-5H,3H2,1-2H3,(H2,8,9);1-2H3.
What are the key properties of ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine?
ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 186.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 142312130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).