N,1,3-trimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C13H17N5S2 — CID 97275179

IUPACN,1,3-trimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1csc([C@H](C)N(C)c2nc3c(s2)c(C)nn3C)n1
InChIInChI=1S/C13H17N5S2/c1-7-6-19-12(14-7)9(3)17(4)13-15-11-10(20-13)8(2)16-18(11)5/h6,9H,1-5H3/t9-/m0/s1
InChIKeyLRPBOXDGGMIRQH-VIFPVBQESA-N
MW307.45 g/mol
LogP3.30
Rot. Bonds3

About N,1,3-trimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

N,1,3-trimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 97275179) has the molecular formula C13H17N5S2 and a molecular weight of 307.45 g/mol. Its IUPAC name is N,1,3-trimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID97275179
Molecular FormulaC13H17N5S2
Molecular Weight307.45 g/mol
Exact Mass307.09
IUPAC NameN,1,3-trimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1csc([C@H](C)N(C)c2nc3c(s2)c(C)nn3C)n1
InChIInChI=1S/C13H17N5S2/c1-7-6-19-12(14-7)9(3)17(4)13-15-11-10(20-13)8(2)16-18(11)5/h6,9H,1-5H3/t9-/m0/s1
InChIKeyLRPBOXDGGMIRQH-VIFPVBQESA-N
XLogP3.30
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N,1,3-trimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 97275179) is N,1,3-trimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N,1,3-trimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N,1,3-trimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1csc([C@H](C)N(C)c2nc3c(s2)c(C)nn3C)n1.
What is the InChIKey of N,1,3-trimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is LRPBOXDGGMIRQH-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N5S2/c1-7-6-19-12(14-7)9(3)17(4)13-15-11-10(20-13)8(2)16-18(11)5/h6,9H,1-5H3/t9-/m0/s1.
What are the key properties of N,1,3-trimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
N,1,3-trimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 307.45 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 97275179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).