N,N-diethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine

C12H22N2S — CID 59569175

IUPACN,N-diethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCCN(CC)c1nc(CCC(C)C)cs1
InChIInChI=1S/C12H22N2S/c1-5-14(6-2)12-13-11(9-15-12)8-7-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyMHRZJQWRSCZYLP-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.58
Rot. Bonds6

About N,N-diethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine

N,N-diethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine (PubChem CID 59569175) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N,N-diethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine
PubChem CID59569175
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN,N-diethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCCN(CC)c1nc(CCC(C)C)cs1
InChIInChI=1S/C12H22N2S/c1-5-14(6-2)12-13-11(9-15-12)8-7-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyMHRZJQWRSCZYLP-UHFFFAOYSA-N
XLogP3.58
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-N-ethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 43532090
ethyl 3-[2-[ethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486127
3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486149
2-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol
CID 62960831
N-(2-chloroethyl)-N,4-diethyl-1,3-thiazol-2-amine
CID 63392590
2-N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 114275869
2-[[2-(diethylamino)-1,3-thiazol-4-yl]methoxycarbonylamino]-3-methylbutanoic acid
CID 18758921
methyl 2-[2-[2-cyanopropyl(ethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575733
N,N-diethyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
CID 64542709
methyl 3-[2-[methyl(2-methylpropyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040003
ethyl 3-[2-[methyl(2-methylbutyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486175
4-bromo-N-ethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79470964

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine (CID 59569175) is N,N-diethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine is CCN(CC)c1nc(CCC(C)C)cs1.
What is the InChIKey of N,N-diethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine?
The InChIKey is MHRZJQWRSCZYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-5-14(6-2)12-13-11(9-15-12)8-7-10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of N,N-diethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine?
N,N-diethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine has a molecular weight of 226.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 59569175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).