2-morpholin-4-yl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrimidine-5-carboxamide

C15H18N6O3S — CID 74238507

IUPAC2-morpholin-4-yl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrimidine-5-carboxamide
SMILESO=C(CCNC(=O)c1cnc(N2CCOCC2)nc1)Nc1nccs1
InChIInChI=1S/C15H18N6O3S/c22-12(20-15-17-3-8-25-15)1-2-16-13(23)11-9-18-14(19-10-11)21-4-6-24-7-5-21/h3,8-10H,1-2,4-7H2,(H,16,23)(H,17,20,22)
InChIKeyDGFALGPXIDCTJO-UHFFFAOYSA-N
MW362.42 g/mol
LogP0.53
Rot. Bonds6

About 2-morpholin-4-yl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrimidine-5-carboxamide

2-morpholin-4-yl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrimidine-5-carboxamide (PubChem CID 74238507) has the molecular formula C15H18N6O3S and a molecular weight of 362.42 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrimidine-5-carboxamide
PubChem CID74238507
Molecular FormulaC15H18N6O3S
Molecular Weight362.42 g/mol
Exact Mass362.12
IUPAC Name2-morpholin-4-yl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrimidine-5-carboxamide
SMILESO=C(CCNC(=O)c1cnc(N2CCOCC2)nc1)Nc1nccs1
InChIInChI=1S/C15H18N6O3S/c22-12(20-15-17-3-8-25-15)1-2-16-13(23)11-9-18-14(19-10-11)21-4-6-24-7-5-21/h3,8-10H,1-2,4-7H2,(H,16,23)(H,17,20,22)
InChIKeyDGFALGPXIDCTJO-UHFFFAOYSA-N
XLogP0.53
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrimidine-5-carboxamide (CID 74238507) is 2-morpholin-4-yl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrimidine-5-carboxamide is O=C(CCNC(=O)c1cnc(N2CCOCC2)nc1)Nc1nccs1.
What is the InChIKey of 2-morpholin-4-yl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrimidine-5-carboxamide?
The InChIKey is DGFALGPXIDCTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3S/c22-12(20-15-17-3-8-25-15)1-2-16-13(23)11-9-18-14(19-10-11)21-4-6-24-7-5-21/h3,8-10H,1-2,4-7H2,(H,16,23)(H,17,20,22).
What are the key properties of 2-morpholin-4-yl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrimidine-5-carboxamide?
2-morpholin-4-yl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrimidine-5-carboxamide has a molecular weight of 362.42 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 74238507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).