N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine

C12H16N2S2 — CID 63992614

IUPACN-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine
SMILESCc1ccsc1-c1csc(NCC(C)C)n1
InChIInChI=1S/C12H16N2S2/c1-8(2)6-13-12-14-10(7-16-12)11-9(3)4-5-15-11/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyNGHNLUVAZGEZTB-UHFFFAOYSA-N
MW252.41 g/mol
LogP4.25
Rot. Bonds4

About N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine

N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine (PubChem CID 63992614) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine
PubChem CID63992614
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC NameN-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine
SMILESCc1ccsc1-c1csc(NCC(C)C)n1
InChIInChI=1S/C12H16N2S2/c1-8(2)6-13-12-14-10(7-16-12)11-9(3)4-5-15-11/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyNGHNLUVAZGEZTB-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine (CID 63992614) is N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine is Cc1ccsc1-c1csc(NCC(C)C)n1.
What is the InChIKey of N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine?
The InChIKey is NGHNLUVAZGEZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-8(2)6-13-12-14-10(7-16-12)11-9(3)4-5-15-11/h4-5,7-8H,6H2,1-3H3,(H,13,14).
What are the key properties of N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine?
N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine has a molecular weight of 252.41 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63992614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).