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

C16H27N3S — CID 79393302

IUPAC5-[(cyclopropylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N(C)CC2CC2C)sc1CNC1CC1
InChIInChI=1S/C16H27N3S/c1-10(2)15-14(8-17-13-5-6-13)20-16(18-15)19(4)9-12-7-11(12)3/h10-13,17H,5-9H2,1-4H3
InChIKeyCSVCRARFLPWENX-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.61
Rot. Bonds7

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

5-[(cyclopropylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 79393302) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID79393302
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name5-[(cyclopropylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N(C)CC2CC2C)sc1CNC1CC1
InChIInChI=1S/C16H27N3S/c1-10(2)15-14(8-17-13-5-6-13)20-16(18-15)19(4)9-12-7-11(12)3/h10-13,17H,5-9H2,1-4H3
InChIKeyCSVCRARFLPWENX-UHFFFAOYSA-N
XLogP3.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.61
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-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393376
N'-[5-[(cyclopropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 79381983
5-[(cyclopropylamino)methyl]-N-methyl-4-propan-2-yl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 79383339
5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392868
5-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395527
5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392792
N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-N-ethyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 107402319
5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 55117655
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82434590
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 63864932
N-[[2-(diethylaminomethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82435204

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (CID 79393302) is 5-[(cyclopropylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1nc(N(C)CC2CC2C)sc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is CSVCRARFLPWENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-10(2)15-14(8-17-13-5-6-13)20-16(18-15)19(4)9-12-7-11(12)3/h10-13,17H,5-9H2,1-4H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 293.48 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79393302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).