4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine

C15H27N3S2 — CID 115987992

IUPAC4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCSCC(C)N(C)c1nc(C2CC2)c(CNC(C)C)s1
InChIInChI=1S/C15H27N3S2/c1-10(2)16-8-13-14(12-6-7-12)17-15(20-13)18(4)11(3)9-19-5/h10-12,16H,6-9H2,1-5H3
InChIKeyXHIODLCSTNCBKI-UHFFFAOYSA-N
MW313.54 g/mol
LogP3.71
Rot. Bonds8

About 4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine

4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 115987992) has the molecular formula C15H27N3S2 and a molecular weight of 313.54 g/mol. Its IUPAC name is 4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID115987992
Molecular FormulaC15H27N3S2
Molecular Weight313.54 g/mol
Exact Mass313.16
IUPAC Name4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCSCC(C)N(C)c1nc(C2CC2)c(CNC(C)C)s1
InChIInChI=1S/C15H27N3S2/c1-10(2)16-8-13-14(12-6-7-12)17-15(20-13)18(4)11(3)9-19-5/h10-12,16H,6-9H2,1-5H3
InChIKeyXHIODLCSTNCBKI-UHFFFAOYSA-N
XLogP3.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.54
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-N-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63916185
N-cyclopentyl-4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63917340
N'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63917430
4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
CID 112666494
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-pentan-2-yl-1,3-thiazol-2-amine
CID 63918125
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine
CID 63918356
2-N,4-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 112666371
4-cyclopropyl-N-(1-cyclopropylethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 63915790
4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
CID 63916975
N-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768154
[4-cyclopropyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 63915868
4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine
CID 63915986

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 115987992) is 4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is CSCC(C)N(C)c1nc(C2CC2)c(CNC(C)C)s1.
What is the InChIKey of 4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is XHIODLCSTNCBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S2/c1-10(2)16-8-13-14(12-6-7-12)17-15(20-13)18(4)11(3)9-19-5/h10-12,16H,6-9H2,1-5H3.
What are the key properties of 4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 313.54 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 115987992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).