[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamic acid

C9H13N3O3S — CID 87112181

IUPAC[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C9H13N3O3S/c13-9(14)11-8-10-7(6-16-8)5-12-1-3-15-4-2-12/h6H,1-5H2,(H,10,11)(H,13,14)
InChIKeyUMAJCIXETKGCCZ-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.07
Rot. Bonds3

About [4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamic acid

[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamic acid (PubChem CID 87112181) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is [4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamic acid
PubChem CID87112181
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C9H13N3O3S/c13-9(14)11-8-10-7(6-16-8)5-12-1-3-15-4-2-12/h6H,1-5H2,(H,10,11)(H,13,14)
InChIKeyUMAJCIXETKGCCZ-UHFFFAOYSA-N
XLogP1.07
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamic acid (CID 87112181) is [4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamic acid is O=C(O)Nc1nc(CN2CCOCC2)cs1.
What is the InChIKey of [4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is UMAJCIXETKGCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c13-9(14)11-8-10-7(6-16-8)5-12-1-3-15-4-2-12/h6H,1-5H2,(H,10,11)(H,13,14).
What are the key properties of [4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamic acid?
[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 243.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 87112181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).