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

C12H20N4S — CID 106049376

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NCc2cnn(C)c2C)S1
InChIInChI=1S/C12H20N4S/c1-4-5-11-8-14-12(17-11)13-6-10-7-15-16(3)9(10)2/h7,11H,4-6,8H2,1-3H3,(H,13,14)
InChIKeyDXDUYUBMITTZQB-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.09
Rot. Bonds4

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106049376) 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-propyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106049376
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NCc2cnn(C)c2C)S1
InChIInChI=1S/C12H20N4S/c1-4-5-11-8-14-12(17-11)13-6-10-7-15-16(3)9(10)2/h7,11H,4-6,8H2,1-3H3,(H,13,14)
InChIKeyDXDUYUBMITTZQB-UHFFFAOYSA-N
XLogP2.09
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.09
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-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (CID 106049376) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is CCCC1CN=C(NCc2cnn(C)c2C)S1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is DXDUYUBMITTZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-4-5-11-8-14-12(17-11)13-6-10-7-15-16(3)9(10)2/h7,11H,4-6,8H2,1-3H3,(H,13,14).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 252.39 g/mol, XLogP of 2.09, 4 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-propyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106049376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).