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

C12H20N4S — CID 106049368

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1c(CNC2=NCC(C(C)C)S2)cnn1C
InChIInChI=1S/C12H20N4S/c1-8(2)11-7-14-12(17-11)13-5-10-6-15-16(4)9(10)3/h6,8,11H,5,7H2,1-4H3,(H,13,14)
InChIKeyIQEBGXPJTOUYAZ-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.95
Rot. Bonds3

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106049368) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106049368
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1c(CNC2=NCC(C(C)C)S2)cnn1C
InChIInChI=1S/C12H20N4S/c1-8(2)11-7-14-12(17-11)13-5-10-6-15-16(4)9(10)3/h6,8,11H,5,7H2,1-4H3,(H,13,14)
InChIKeyIQEBGXPJTOUYAZ-UHFFFAOYSA-N
XLogP1.95
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106049368) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is Cc1c(CNC2=NCC(C(C)C)S2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is IQEBGXPJTOUYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-8(2)11-7-14-12(17-11)13-5-10-6-15-16(4)9(10)3/h6,8,11H,5,7H2,1-4H3,(H,13,14).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 252.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106049368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).