N-[[2-(1-methylimidazol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine

C14H22N4S — CID 114365417

IUPACN-[[2-(1-methylimidazol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc(-c2nccn2C)nc1C(C)C
InChIInChI=1S/C14H22N4S/c1-9(2)12-11(8-16-10(3)4)19-14(17-12)13-15-6-7-18(13)5/h6-7,9-10,16H,8H2,1-5H3
InChIKeyFSXSTKGTJDVBNB-UHFFFAOYSA-N
MW278.43 g/mol
LogP3.16
Rot. Bonds5

About N-[[2-(1-methylimidazol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-(1-methylimidazol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114365417) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is N-[[2-(1-methylimidazol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methylimidazol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114365417
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC NameN-[[2-(1-methylimidazol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc(-c2nccn2C)nc1C(C)C
InChIInChI=1S/C14H22N4S/c1-9(2)12-11(8-16-10(3)4)19-14(17-12)13-15-6-7-18(13)5/h6-7,9-10,16H,8H2,1-5H3
InChIKeyFSXSTKGTJDVBNB-UHFFFAOYSA-N
XLogP3.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(1-methylimidazol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114362981
N-[(4-propan-2-yl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 114365434
N-[[2-(5-methylpyrimidin-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365464
1-[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362377
4-[4-propan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol
CID 136889307
N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82434875
N-[[2-(methylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82434348
N-[[2-(3-bromo-4-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365441
5-methyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-4-amine
CID 83108379
N-[[4-methyl-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63839460
N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365476
N-methyl-1-[2-(2-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114364758

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylimidazol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-methylimidazol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114365417) is N-[[2-(1-methylimidazol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-methylimidazol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-methylimidazol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1sc(-c2nccn2C)nc1C(C)C.
What is the InChIKey of N-[[2-(1-methylimidazol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is FSXSTKGTJDVBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-9(2)12-11(8-16-10(3)4)19-14(17-12)13-15-6-7-18(13)5/h6-7,9-10,16H,8H2,1-5H3.
What are the key properties of N-[[2-(1-methylimidazol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(1-methylimidazol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 278.43 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylimidazol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114365417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).