N,N-dimethyl-3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)prop-1-en-1-amine

C12H20N2S — CID 126535644

IUPACN,N-dimethyl-3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)prop-1-en-1-amine
SMILESCc1nc(C(C)C)sc1CC=CN(C)C
InChIInChI=1S/C12H20N2S/c1-9(2)12-13-10(3)11(15-12)7-6-8-14(4)5/h6,8-9H,7H2,1-5H3
InChIKeyRWHUGIHYIVSTQV-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.19
Rot. Bonds4

About N,N-dimethyl-3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)prop-1-en-1-amine

N,N-dimethyl-3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)prop-1-en-1-amine (PubChem CID 126535644) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)prop-1-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)prop-1-en-1-amine
PubChem CID126535644
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN,N-dimethyl-3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)prop-1-en-1-amine
SMILESCc1nc(C(C)C)sc1CC=CN(C)C
InChIInChI=1S/C12H20N2S/c1-9(2)12-13-10(3)11(15-12)7-6-8-14(4)5/h6,8-9H,7H2,1-5H3
InChIKeyRWHUGIHYIVSTQV-UHFFFAOYSA-N
XLogP3.19
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol
CID 116885395
N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 62403726
(1S)-1-(5-ethyl-4-methyl-1,3-thiazol-2-yl)ethanamine
CID 82668357
2-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 115707398
3-chloro-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide
CID 91789702
N,N-dimethyl-5-[[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyrimidin-2-amine
CID 122158318
3-ethoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 118779746
ethane;5-ethyl-2-propan-2-yl-1,3-thiazol-4-amine
CID 170954196
1-ethyl-N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxamide
CID 97060197
2,6-difluoro-4-methoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 118775539
2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone
CID 97178760
5-[3-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-methylbutyl]-4-methyl-2-propan-2-yl-1,3-thiazole
CID 139373413

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)prop-1-en-1-amine?
The IUPAC name of N,N-dimethyl-3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)prop-1-en-1-amine (CID 126535644) is N,N-dimethyl-3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)prop-1-en-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)prop-1-en-1-amine?
The canonical SMILES for N,N-dimethyl-3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)prop-1-en-1-amine is Cc1nc(C(C)C)sc1CC=CN(C)C.
What is the InChIKey of N,N-dimethyl-3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)prop-1-en-1-amine?
The InChIKey is RWHUGIHYIVSTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9(2)12-13-10(3)11(15-12)7-6-8-14(4)5/h6,8-9H,7H2,1-5H3.
What are the key properties of N,N-dimethyl-3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)prop-1-en-1-amine?
N,N-dimethyl-3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)prop-1-en-1-amine has a molecular weight of 224.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)prop-1-en-1-amine is sourced from PubChem (CID 126535644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).