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

C12H21N3S — CID 115726275

IUPAC4-[(1-cyclopropylpropan-2-ylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCC(CC1CC1)NCc1csc(N(C)C)n1
InChIInChI=1S/C12H21N3S/c1-9(6-10-4-5-10)13-7-11-8-16-12(14-11)15(2)3/h8-10,13H,4-7H2,1-3H3
InChIKeyMVMWSQHTELWOFG-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.49
Rot. Bonds6

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

4-[(1-cyclopropylpropan-2-ylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 115726275) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4-[(1-cyclopropylpropan-2-ylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(1-cyclopropylpropan-2-ylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID115726275
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4-[(1-cyclopropylpropan-2-ylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCC(CC1CC1)NCc1csc(N(C)C)n1
InChIInChI=1S/C12H21N3S/c1-9(6-10-4-5-10)13-7-11-8-16-12(14-11)15(2)3/h8-10,13H,4-7H2,1-3H3
InChIKeyMVMWSQHTELWOFG-UHFFFAOYSA-N
XLogP2.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylpropan-2-ylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[(1-cyclopropylpropan-2-ylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 115726275) is 4-[(1-cyclopropylpropan-2-ylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(1-cyclopropylpropan-2-ylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(1-cyclopropylpropan-2-ylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine is CC(CC1CC1)NCc1csc(N(C)C)n1.
What is the InChIKey of 4-[(1-cyclopropylpropan-2-ylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is MVMWSQHTELWOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9(6-10-4-5-10)13-7-11-8-16-12(14-11)15(2)3/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 4-[(1-cyclopropylpropan-2-ylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
4-[(1-cyclopropylpropan-2-ylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylpropan-2-ylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 115726275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).