3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile

C10H10N4S2 — CID 103379420

IUPAC3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
SMILESCN(Cc1cccs1)c1snc(N)c1C#N
InChIInChI=1S/C10H10N4S2/c1-14(6-7-3-2-4-15-7)10-8(5-11)9(12)13-16-10/h2-4H,6H2,1H3,(H2,12,13)
InChIKeyFVUQYJFIFLNTOM-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.29
Rot. Bonds3

About 3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile

3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile (PubChem CID 103379420) has the molecular formula C10H10N4S2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
PubChem CID103379420
Molecular FormulaC10H10N4S2
Molecular Weight250.35 g/mol
Exact Mass250.03
IUPAC Name3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
SMILESCN(Cc1cccs1)c1snc(N)c1C#N
InChIInChI=1S/C10H10N4S2/c1-14(6-7-3-2-4-15-7)10-8(5-11)9(12)13-16-10/h2-4H,6H2,1H3,(H2,12,13)
InChIKeyFVUQYJFIFLNTOM-UHFFFAOYSA-N
XLogP2.29
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethylsulfonyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360412
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379514
3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103379422
3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379419
2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 43009194
2-bromo-6-[methyl(thiophen-2-ylmethyl)amino]benzonitrile
CID 114880619
5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile
CID 80509194
2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile
CID 107933368
2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 116796444
5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-2,5-diamine
CID 43527362
3-fluoro-5-[methyl(thiophen-2-ylmethyl)amino]benzonitrile
CID 102815367
4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine
CID 82236281

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile (CID 103379420) is 3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile is CN(Cc1cccs1)c1snc(N)c1C#N.
What is the InChIKey of 3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile?
The InChIKey is FVUQYJFIFLNTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S2/c1-14(6-7-3-2-4-15-7)10-8(5-11)9(12)13-16-10/h2-4H,6H2,1H3,(H2,12,13).
What are the key properties of 3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile?
3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile has a molecular weight of 250.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103379420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).