5-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine

C9H13N5S2 — CID 103359163

IUPAC5-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCc1cn[nH]c1C
InChIInChI=1S/C9H13N5S2/c1-5-6(4-12-13-5)3-11-9-7(15-2)8(10)14-16-9/h4,11H,3H2,1-2H3,(H2,10,14)(H,12,13)
InChIKeySSFCBPPMGMDMMM-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.09
Rot. Bonds4

About 5-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine

5-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103359163) has the molecular formula C9H13N5S2 and a molecular weight of 255.37 g/mol. Its IUPAC name is 5-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103359163
Molecular FormulaC9H13N5S2
Molecular Weight255.37 g/mol
Exact Mass255.06
IUPAC Name5-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCc1cn[nH]c1C
InChIInChI=1S/C9H13N5S2/c1-5-6(4-12-13-5)3-11-9-7(15-2)8(10)14-16-9/h4,11H,3H2,1-2H3,(H2,10,14)(H,12,13)
InChIKeySSFCBPPMGMDMMM-UHFFFAOYSA-N
XLogP2.09
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine with MolForge

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Related Compounds

5-N-(1H-imidazol-2-ylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359706
5-N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103364900
5-N-[4-(dimethylamino)butyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360361
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304769
5-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103366044
5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136974356
4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine
CID 103359997
2-iodo-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzene-1,4-diamine
CID 66093758
4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103361244
5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 130747546
5,6-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine
CID 105362468
1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine
CID 60808842

Frequently Asked Questions

What is the IUPAC name of 5-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103359163) is 5-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NCc1cn[nH]c1C.
What is the InChIKey of 5-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is SSFCBPPMGMDMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S2/c1-5-6(4-12-13-5)3-11-9-7(15-2)8(10)14-16-9/h4,11H,3H2,1-2H3,(H2,10,14)(H,12,13).
What are the key properties of 5-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 255.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).