4-cyclopropyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine

C16H25N3S — CID 103359673

IUPAC4-cyclopropyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine
SMILESCC12CCC(C1)C(C)(C)C2Nc1snc(N)c1C1CC1
InChIInChI=1S/C16H25N3S/c1-15(2)10-6-7-16(3,8-10)14(15)18-13-11(9-4-5-9)12(17)19-20-13/h9-10,14,18H,4-8H2,1-3H3,(H2,17,19)
InChIKeyPQDBJCZYWWFQEH-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.23
Rot. Bonds3

About 4-cyclopropyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine (PubChem CID 103359673) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine
PubChem CID103359673
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name4-cyclopropyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine
SMILESCC12CCC(C1)C(C)(C)C2Nc1snc(N)c1C1CC1
InChIInChI=1S/C16H25N3S/c1-15(2)10-6-7-16(3,8-10)14(15)18-13-11(9-4-5-9)12(17)19-20-13/h9-10,14,18H,4-8H2,1-3H3,(H2,17,19)
InChIKeyPQDBJCZYWWFQEH-UHFFFAOYSA-N
XLogP4.23
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine with MolForge

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Related Compounds

3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79402308
1-[3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazol-4-yl]ethanone
CID 79364184
5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103363356
5,5-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 115361684
5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-4-carboxylic acid
CID 64629094
4-cyclopropyl-5-N-(4-ethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359962
6-hydrazinyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine
CID 80917975
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525
6-methoxy-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine
CID 115320849
5-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65034949
4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine
CID 103363365

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine (CID 103359673) is 4-cyclopropyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine is CC12CCC(C1)C(C)(C)C2Nc1snc(N)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine?
The InChIKey is PQDBJCZYWWFQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-15(2)10-6-7-16(3,8-10)14(15)18-13-11(9-4-5-9)12(17)19-20-13/h9-10,14,18H,4-8H2,1-3H3,(H2,17,19).
What are the key properties of 4-cyclopropyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine has a molecular weight of 291.46 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).