N-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine

C17H23N3S — CID 97252891

IUPACN-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
SMILESCC(C)[C@@H](C)N(Cc1cnc(-c2cccnc2)s1)C1CC1
InChIInChI=1S/C17H23N3S/c1-12(2)13(3)20(15-6-7-15)11-16-10-19-17(21-16)14-5-4-8-18-9-14/h4-5,8-10,12-13,15H,6-7,11H2,1-3H3/t13-/m1/s1
InChIKeyCMMWCJRDQCWFCG-CYBMUJFWSA-N
MW301.46 g/mol
LogP4.21
Rot. Bonds6

About N-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine

N-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine (PubChem CID 97252891) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
PubChem CID97252891
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
SMILESCC(C)[C@@H](C)N(Cc1cnc(-c2cccnc2)s1)C1CC1
InChIInChI=1S/C17H23N3S/c1-12(2)13(3)20(15-6-7-15)11-16-10-19-17(21-16)14-5-4-8-18-9-14/h4-5,8-10,12-13,15H,6-7,11H2,1-3H3/t13-/m1/s1
InChIKeyCMMWCJRDQCWFCG-CYBMUJFWSA-N
XLogP4.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine with MolForge

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Related Compounds

N-methyl-1-pyridin-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 75505274
5-butyl-2-pyridin-3-yl-1,3-thiazole
CID 67548098
5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole
CID 82422643
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde
CID 115091325
4-(2-pyridin-3-yl-1,3-thiazol-5-yl)butan-1-amine
CID 11557701
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82286214
5-[[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole
CID 97160215
N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 119033132
5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898662
5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole
CID 97159617
5-chloro-2-pyridin-3-yl-1,3-thiazole
CID 117259093
5-[[1-(4-chlorophenyl)ethyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine
CID 120898978

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine (CID 97252891) is N-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine is CC(C)[C@@H](C)N(Cc1cnc(-c2cccnc2)s1)C1CC1.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The InChIKey is CMMWCJRDQCWFCG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3S/c1-12(2)13(3)20(15-6-7-15)11-16-10-19-17(21-16)14-5-4-8-18-9-14/h4-5,8-10,12-13,15H,6-7,11H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
N-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine has a molecular weight of 301.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 97252891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).