2-methyl-N-[[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine

C12H23N3S — CID 142021901

IUPAC2-methyl-N-[[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(CNC(C)(C)C)s1
InChIInChI=1S/C12H23N3S/c1-9(2)13-6-10-7-14-11(16-10)8-15-12(3,4)5/h7,9,13,15H,6,8H2,1-5H3
InChIKeyFLFNPHWMKOSCBK-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.53
Rot. Bonds5

About 2-methyl-N-[[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 142021901) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 2-methyl-N-[[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID142021901
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name2-methyl-N-[[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(CNC(C)(C)C)s1
InChIInChI=1S/C12H23N3S/c1-9(2)13-6-10-7-14-11(16-10)8-15-12(3,4)5/h7,9,13,15H,6,8H2,1-5H3
InChIKeyFLFNPHWMKOSCBK-UHFFFAOYSA-N
XLogP2.53
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2-Ethyl-1,3-thiazol-5-yl)methyl](methyl)amine
CID 50987848
1-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperazine
CID 52319808
N,2-Dimethyl-5-thiazolemethanamine
CID 20312952
(2-(2-Methylpropyl)-1,3-thiazol-5-yl)methanamine
CID 57487274
(2-Methyl-1,3-thiazol-5-yl)methanamine
CID 19046689
(5-Methyl-1,3-thiazol-2-yl)methanamine
CID 24274472
1-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274473
2-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 24274474
1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 24278428
2-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24279096
Methyl(1,3-thiazol-5-ylmethyl)amine
CID 45121664
(2-Ethyl-1,3-thiazol-5-yl)methanamine
CID 60983127

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 142021901) is 2-methyl-N-[[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1cnc(CNC(C)(C)C)s1.
What is the InChIKey of 2-methyl-N-[[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is FLFNPHWMKOSCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-9(2)13-6-10-7-14-11(16-10)8-15-12(3,4)5/h7,9,13,15H,6,8H2,1-5H3.
What are the key properties of 2-methyl-N-[[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 241.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 142021901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).