N-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine

C8H15N3S — CID 130632484

IUPACN-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(CNC(C)C)cs1
InChIInChI=1S/C8H15N3S/c1-6(2)10-4-7-5-12-8(9-3)11-7/h5-6,10H,4H2,1-3H3,(H,9,11)
InChIKeyDMQOMJHWITZIRS-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.68
Rot. Bonds4

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

N-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 130632484) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID130632484
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(CNC(C)C)cs1
InChIInChI=1S/C8H15N3S/c1-6(2)10-4-7-5-12-8(9-3)11-7/h5-6,10H,4H2,1-3H3,(H,9,11)
InChIKeyDMQOMJHWITZIRS-UHFFFAOYSA-N
XLogP1.68
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 59665191
N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 60726594
N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 55086572
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 62544830
4-[(dimethylsulfamoylamino)methyl]-2-(methylamino)-1,3-thiazole
CID 110719604
N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 107925558
4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine
CID 133461292
ethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate
CID 110719565
N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60683168
1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 110747915
N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60641063
N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 61281494

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 130632484) is N-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is CNc1nc(CNC(C)C)cs1.
What is the InChIKey of N-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is DMQOMJHWITZIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-6(2)10-4-7-5-12-8(9-3)11-7/h5-6,10H,4H2,1-3H3,(H,9,11).
What are the key properties of N-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
N-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 130632484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).