N-[3-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine

C14H21N3OS — CID 79347169

IUPACN-[3-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine
SMILESCc1nc(N2CCOCC2)sc1C=CCNC1CC1
InChIInChI=1S/C14H21N3OS/c1-11-13(3-2-6-15-12-4-5-12)19-14(16-11)17-7-9-18-10-8-17/h2-3,12,15H,4-10H2,1H3
InChIKeyBQAAPXMBRTUDMP-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.05
Rot. Bonds5

About N-[3-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine

N-[3-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine (PubChem CID 79347169) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[3-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine
PubChem CID79347169
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-[3-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine
SMILESCc1nc(N2CCOCC2)sc1C=CCNC1CC1
InChIInChI=1S/C14H21N3OS/c1-11-13(3-2-6-15-12-4-5-12)19-14(16-11)17-7-9-18-10-8-17/h2-3,12,15H,4-10H2,1H3
InChIKeyBQAAPXMBRTUDMP-UHFFFAOYSA-N
XLogP2.05
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[3-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine (CID 79347169) is N-[3-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine is Cc1nc(N2CCOCC2)sc1C=CCNC1CC1.
What is the InChIKey of N-[3-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine?
The InChIKey is BQAAPXMBRTUDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-11-13(3-2-6-15-12-4-5-12)19-14(16-11)17-7-9-18-10-8-17/h2-3,12,15H,4-10H2,1H3.
What are the key properties of N-[3-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine?
N-[3-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine has a molecular weight of 279.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 79347169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).