5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine

C13H21N3S — CID 55117655

IUPAC5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)CC2CC2)sc1CNC1CC1
InChIInChI=1S/C13H21N3S/c1-9-12(7-14-11-5-6-11)17-13(15-9)16(2)8-10-3-4-10/h10-11,14H,3-8H2,1-2H3
InChIKeyDRTPHWCVCMVGMF-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.55
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine

5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 55117655) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID55117655
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)CC2CC2)sc1CNC1CC1
InChIInChI=1S/C13H21N3S/c1-9-12(7-14-11-5-6-11)17-13(15-9)16(2)8-10-3-4-10/h10-11,14H,3-8H2,1-2H3
InChIKeyDRTPHWCVCMVGMF-UHFFFAOYSA-N
XLogP2.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 63865285
5-(aminomethyl)-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 62766977
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81067668
N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63706345
5-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767571
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 62767914
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 62769039
N-cyclopropyl-5-[(cyclopropylamino)methyl]-4-methyl-N-propyl-1,3-thiazol-2-amine
CID 62769172
N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 63655525
N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63234496
5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
CID 63705683
5-[(cyclopropylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393302

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine (CID 55117655) is 5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine is Cc1nc(N(C)CC2CC2)sc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is DRTPHWCVCMVGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-9-12(7-14-11-5-6-11)17-13(15-9)16(2)8-10-3-4-10/h10-11,14H,3-8H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 251.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 55117655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).