4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,3-trimethyl-1-(2-methylpropyl)pyrazol-5-amine

C18H31N5S — CID 95596817

IUPAC4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,3-trimethyl-1-(2-methylpropyl)pyrazol-5-amine
SMILESCc1nc(C)c([C@H](C)NCc2c(C)nn(CC(C)C)c2N(C)C)s1
InChIInChI=1S/C18H31N5S/c1-11(2)10-23-18(22(7)8)16(12(3)21-23)9-19-13(4)17-14(5)20-15(6)24-17/h11,13,19H,9-10H2,1-8H3/t13-/m0/s1
InChIKeyTUSWCGIRSXIJEA-ZDUSSCGKSA-N
MW349.55 g/mol
LogP3.84
Rot. Bonds7

About 4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,3-trimethyl-1-(2-methylpropyl)pyrazol-5-amine

4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,3-trimethyl-1-(2-methylpropyl)pyrazol-5-amine (PubChem CID 95596817) has the molecular formula C18H31N5S and a molecular weight of 349.55 g/mol. Its IUPAC name is 4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,3-trimethyl-1-(2-methylpropyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,3-trimethyl-1-(2-methylpropyl)pyrazol-5-amine
PubChem CID95596817
Molecular FormulaC18H31N5S
Molecular Weight349.55 g/mol
Exact Mass349.23
IUPAC Name4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,3-trimethyl-1-(2-methylpropyl)pyrazol-5-amine
SMILESCc1nc(C)c([C@H](C)NCc2c(C)nn(CC(C)C)c2N(C)C)s1
InChIInChI=1S/C18H31N5S/c1-11(2)10-23-18(22(7)8)16(12(3)21-23)9-19-13(4)17-14(5)20-15(6)24-17/h11,13,19H,9-10H2,1-8H3/t13-/m0/s1
InChIKeyTUSWCGIRSXIJEA-ZDUSSCGKSA-N
XLogP3.84
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.55
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,3-trimethyl-1-(2-methylpropyl)pyrazol-5-amine?
The IUPAC name of 4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,3-trimethyl-1-(2-methylpropyl)pyrazol-5-amine (CID 95596817) is 4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,3-trimethyl-1-(2-methylpropyl)pyrazol-5-amine.
What is the SMILES notation for 4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,3-trimethyl-1-(2-methylpropyl)pyrazol-5-amine?
The canonical SMILES for 4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,3-trimethyl-1-(2-methylpropyl)pyrazol-5-amine is Cc1nc(C)c([C@H](C)NCc2c(C)nn(CC(C)C)c2N(C)C)s1.
What is the InChIKey of 4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,3-trimethyl-1-(2-methylpropyl)pyrazol-5-amine?
The InChIKey is TUSWCGIRSXIJEA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H31N5S/c1-11(2)10-23-18(22(7)8)16(12(3)21-23)9-19-13(4)17-14(5)20-15(6)24-17/h11,13,19H,9-10H2,1-8H3/t13-/m0/s1.
What are the key properties of 4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,3-trimethyl-1-(2-methylpropyl)pyrazol-5-amine?
4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,3-trimethyl-1-(2-methylpropyl)pyrazol-5-amine has a molecular weight of 349.55 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,3-trimethyl-1-(2-methylpropyl)pyrazol-5-amine is sourced from PubChem (CID 95596817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).