N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide

C15H19N3O2S2 — CID 30547818

IUPACN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C15H19N3O2S2/c19-14(4-3-13-2-1-9-21-13)17-15-16-12(11-22-15)10-18-5-7-20-8-6-18/h1-2,9,11H,3-8,10H2,(H,16,17,19)
InChIKeyRRLGVUXTAPLIBM-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.61
Rot. Bonds6

About N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide

N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide (PubChem CID 30547818) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
PubChem CID30547818
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C15H19N3O2S2/c19-14(4-3-13-2-1-9-21-13)17-15-16-12(11-22-15)10-18-5-7-20-8-6-18/h1-2,9,11H,3-8,10H2,(H,16,17,19)
InChIKeyRRLGVUXTAPLIBM-UHFFFAOYSA-N
XLogP2.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 30186300
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55415179
3-(4-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 46525016
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-naphthalen-2-ylpropanamide
CID 55855793
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
CID 30185272
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209
2-(4-hydroxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78837285
3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 47044892
4-bromo-N-[3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 31005479
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
2-(4-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78776000
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30184294

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide (CID 30547818) is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)Nc1nc(CN2CCOCC2)cs1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide?
The InChIKey is RRLGVUXTAPLIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c19-14(4-3-13-2-1-9-21-13)17-15-16-12(11-22-15)10-18-5-7-20-8-6-18/h1-2,9,11H,3-8,10H2,(H,16,17,19).
What are the key properties of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide?
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide has a molecular weight of 337.47 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 30547818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).