N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine

C11H18N2S — CID 126762296

IUPACN-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
SMILESCC(C)c1nc(CN(C)C2CC2)cs1
InChIInChI=1S/C11H18N2S/c1-8(2)11-12-9(7-14-11)6-13(3)10-4-5-10/h7-8,10H,4-6H2,1-3H3
InChIKeyBHULUBFXIGBZCR-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.86
Rot. Bonds4

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

N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine (PubChem CID 126762296) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
PubChem CID126762296
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
SMILESCC(C)c1nc(CN(C)C2CC2)cs1
InChIInChI=1S/C11H18N2S/c1-8(2)11-12-9(7-14-11)6-13(3)10-4-5-10/h7-8,10H,4-6H2,1-3H3
InChIKeyBHULUBFXIGBZCR-UHFFFAOYSA-N
XLogP2.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,3S)-3-N,3-N-dimethyl-1-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1,3-diamine
CID 97158615
1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 62334490
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-3-amine
CID 66388844
methyl (2S)-2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate
CID 10663834
1-cyclopropyl-1-methyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 110030768
N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-methylcyclohexanamine
CID 130552489
2-methyl-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-1-ol
CID 115638035
2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-hydroxybutanamide
CID 118934421
N-methyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclopropanamine
CID 130636866
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62418324
(3R)-1-[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 98740871
1-cyclopropyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 115589650

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine (CID 126762296) is N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine is CC(C)c1nc(CN(C)C2CC2)cs1.
What is the InChIKey of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
The InChIKey is BHULUBFXIGBZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8(2)11-12-9(7-14-11)6-13(3)10-4-5-10/h7-8,10H,4-6H2,1-3H3.
What are the key properties of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine has a molecular weight of 210.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 126762296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).