N-ethyl-4-methyl-5-propan-2-yl-1,3-thiazol-2-amine

C9H16N2S — CID 126971076

IUPACN-ethyl-4-methyl-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCCNc1nc(C)c(C(C)C)s1
InChIInChI=1S/C9H16N2S/c1-5-10-9-11-7(4)8(12-9)6(2)3/h6H,5H2,1-4H3,(H,10,11)
InChIKeyGBHQFRYSCVTJTR-UHFFFAOYSA-N
MW184.31 g/mol
LogP3.01
Rot. Bonds3

About N-ethyl-4-methyl-5-propan-2-yl-1,3-thiazol-2-amine

N-ethyl-4-methyl-5-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 126971076) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N-ethyl-4-methyl-5-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-5-propan-2-yl-1,3-thiazol-2-amine
PubChem CID126971076
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN-ethyl-4-methyl-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCCNc1nc(C)c(C(C)C)s1
InChIInChI=1S/C9H16N2S/c1-5-10-9-11-7(4)8(12-9)6(2)3/h6H,5H2,1-4H3,(H,10,11)
InChIKeyGBHQFRYSCVTJTR-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Amthamine
CID 126688
N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 676812
N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 2304059
5-tert-butyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 2304055
5-(2-Aminoethyl)-4-methyl-1,3-thiazol-2-amine;hydrobromide
CID 45261548
Amthamine dihydrobromide
CID 16218912
5-Methyl-4-(propan-2-yl)-1,3-thiazol-2-amine
CID 21138959
5-(2-Aminoethyl)-4-methyl-1,3-thiazol-2-amine dihydrochloride
CID 88143882
5-tert-Butyl-4-methyl-thiazol-2-ylamine
CID 1081536
5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 50988945
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 135001092
4-Methyl-5-(propan-2-yl)-1,3-thiazol-2-amine
CID 10397060

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-5-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-4-methyl-5-propan-2-yl-1,3-thiazol-2-amine (CID 126971076) is N-ethyl-4-methyl-5-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-5-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-4-methyl-5-propan-2-yl-1,3-thiazol-2-amine is CCNc1nc(C)c(C(C)C)s1.
What is the InChIKey of N-ethyl-4-methyl-5-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is GBHQFRYSCVTJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-5-10-9-11-7(4)8(12-9)6(2)3/h6H,5H2,1-4H3,(H,10,11).
What are the key properties of N-ethyl-4-methyl-5-propan-2-yl-1,3-thiazol-2-amine?
N-ethyl-4-methyl-5-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 184.31 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-5-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 126971076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).