1,3-dimethyl-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrazole-4-carbothioamide

C12H17N5OS — CID 106388568

IUPAC1,3-dimethyl-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrazole-4-carbothioamide
SMILESCc1cnc(C(C)Nc2c(C(N)=S)c(C)nn2C)o1
InChIInChI=1S/C12H17N5OS/c1-6-5-14-12(18-6)8(3)15-11-9(10(13)19)7(2)16-17(11)4/h5,8,15H,1-4H3,(H2,13,19)
InChIKeyMXSFWCRUHDCCCJ-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.83
Rot. Bonds4

About 1,3-dimethyl-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrazole-4-carbothioamide

1,3-dimethyl-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrazole-4-carbothioamide (PubChem CID 106388568) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 1,3-dimethyl-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrazole-4-carbothioamide.

Molecular Properties

Compound Name1,3-dimethyl-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrazole-4-carbothioamide
PubChem CID106388568
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name1,3-dimethyl-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrazole-4-carbothioamide
SMILESCc1cnc(C(C)Nc2c(C(N)=S)c(C)nn2C)o1
InChIInChI=1S/C12H17N5OS/c1-6-5-14-12(18-6)8(3)15-11-9(10(13)19)7(2)16-17(11)4/h5,8,15H,1-4H3,(H2,13,19)
InChIKeyMXSFWCRUHDCCCJ-UHFFFAOYSA-N
XLogP1.83
TPSA81.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-5-[1-(5-methylthiophen-2-yl)ethylamino]pyrazole-4-carbothioamide
CID 55242496
4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbothioamide
CID 106388569
5-(butan-2-ylamino)-1,3-dimethylpyrazole-4-carbothioamide
CID 63756143
1-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
CID 106387614
1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine
CID 106388861
1-ethyl-3-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-4,5-diamine
CID 114182304
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
CID 106388530
5-(hexan-3-ylamino)-1,3-dimethylpyrazole-4-carbothioamide
CID 63758432
1-methyl-3-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-3,4-diamine
CID 106387646
3-chloro-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenecarbothioamide
CID 106388558
1,3-dimethyl-5-(octan-2-ylamino)pyrazole-4-carbothioamide
CID 63756698
1,3-dimethyl-5-(pyrimidin-5-ylamino)pyrazole-4-carbothioamide
CID 107588833

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrazole-4-carbothioamide?
The IUPAC name of 1,3-dimethyl-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrazole-4-carbothioamide (CID 106388568) is 1,3-dimethyl-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrazole-4-carbothioamide.
What is the SMILES notation for 1,3-dimethyl-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrazole-4-carbothioamide?
The canonical SMILES for 1,3-dimethyl-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrazole-4-carbothioamide is Cc1cnc(C(C)Nc2c(C(N)=S)c(C)nn2C)o1.
What is the InChIKey of 1,3-dimethyl-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrazole-4-carbothioamide?
The InChIKey is MXSFWCRUHDCCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-6-5-14-12(18-6)8(3)15-11-9(10(13)19)7(2)16-17(11)4/h5,8,15H,1-4H3,(H2,13,19).
What are the key properties of 1,3-dimethyl-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrazole-4-carbothioamide?
1,3-dimethyl-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrazole-4-carbothioamide has a molecular weight of 279.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrazole-4-carbothioamide is sourced from PubChem (CID 106388568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).